UCSF

ZINC34507218

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 Yes

Popular Name: 5-chloro-2-(1-piperidyl)benzoic 5-chloro-2-(1-piperidyl)benzoic

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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) 3.64 8.97 -48.97 0 3 -1 43 238.694 2 ↓
Lo Low (pH 4.5-6) 3.64 8.79 -36.69 1 3 0 45 239.702 2 ↓

Activity (Go SEA)

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