UCSF

ZINC12685001

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 34 Yes

Popular Name: 4-[[4-(2,5-diphenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile 4-[[4-(2,5-diphenylpyrazole-3-ca…

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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) 4.06 12.64 -15.04 0 6 0 65 447.542 5 ↓

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