UCSF

ZINC55071684

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 29 Yes

Popular Name: (3-chloro-4-fluoro-phenyl)-[(3S)-3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]methanone (3-chloro-4-fluoro-phenyl)-[(3S)…

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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) 4.08 10.82 -9.41 0 4 0 27 415.94 3 ↓
Mid Mid (pH 6-8) 4.08 10.79 -37.64 1 4 1 28 416.948 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.