UCSF

ZINC19455283

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 Yes

Popular Name: (3R)-3-(benzimidazol-1-yl)-1-[(2S)-2-(2-pyrrolidin-1-ylethyl)-1-piperidyl]butan-1-one (3R)-3-(benzimidazol-1-yl)-1-[(2…

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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) 3.08 13 -39.33 1 5 1 43 369.533 6 ↓
Mid Mid (pH 6-8) 3.08 13.44 -78.79 2 5 2 44 370.541 6 ↓

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