UCSF

ZINC34876037

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 18 Yes

Popular Name: (2S)-N1-benzyl-3-phenyl-propane-1,2-diamine (2S)-N1-benzyl-3-phenyl-propane-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 7.1 -44.42 4 2 1 43 241.358 6 ↓
Mid Mid (pH 6-8) 2.16 6.02 -42.81 4 2 1 40 241.358 6 ↓
Mid Mid (pH 6-8) 2.16 7.4 -135.99 5 2 2 44 242.366 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )