H-D-Trp-OH

H-D-Trp-OH

Cat. No.: PI153946

Product Details Other Identifiers Computed Properties
CAS 153-94-6
Purity 97%
Molecular Formula C11H12N2O2
Linear Formula C8H6NCH2CH(NH2)CO2H
Molecular Weight 204.23
Molar Refractivity 57.36
Pubchem ID 9060
InChI Key QIVBCDIJIAJPQS-SECBINFHSA-N
MDL Number MFCD00005647
Hydrogen Bond Donor Count 3.0
Hydrogen Bond Acceptor Count 3.0
Rotatable Bond Count 3
Topological Polar Surface Area 79.11 Ų
Heavy Atom Count 15
Aromatic Heavy Atoms Number 9
Fraction Csp3 0.18
Log Po/w (iLOGP) 0.98
Log Po/w (XLOGP3) -1.06
Log Po/w (WLOGP) 1.12
Log Po/w (MLOGP) -1.66
Log Po/w (SILICOS-IT) 1.53
Consensus Log Po/w 0.18
GI Absorption High
BBB Permeant No
P-gp Substrate No
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -8.3 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 0.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 2.09

* Our products are for research use only.

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