UCSF

ZINC50737447

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2010 27 Yes

Popular Name: (3S)-N-butyl-1-[2-(2-dimethylaminoethyloxy)benzoyl]piperidine-3-carboxamide (3S)-N-butyl-1-[2-(2-dimethylami…

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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) 2.81 8.95 -43.43 2 6 1 63 376.521 9 ↓
Hi High (pH 8-9.5) 2.81 6.42 -14.84 1 6 0 62 375.513 9 ↓

Activity (Go SEA)

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