UCSF

ZINC70613558

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 Yes

Popular Name: (4S)-4-ethyl-1-(4-piperidyl)azepane (4S)-4-ethyl-1-(4-piperidyl)azepane

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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) 2.27 7.13 -100.03 3 2 2 21 212.381 2 ↓
Mid Mid (pH 6-8) 2.27 5.79 -30.77 2 2 1 16 211.373 2 ↓
Mid Mid (pH 6-8) 2.27 4.93 -38.09 2 2 1 20 211.373 2 ↓

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