UCSF

ZINC41585964

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

Popular Name: 3-(4-chlorophenyl)-7-hydroxy-2-methyl-8-[[4-(2-pyridyl)piperazin-1-yl]methyl]chromen-4-one 3-(4-chlorophenyl)-7-hydroxy-2-m…

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Download: MOL2 SDF SMILES Flexibase

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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) 4.83 10.06 -37.97 2 6 1 71 462.957 4 ↓
Mid Mid (pH 6-8) 4.83 9.75 -11.47 1 6 0 70 461.949 4 ↓
Mid Mid (pH 6-8) 4.83 11.99 -52.12 2 6 1 71 462.957 4 ↓
Mid Mid (pH 6-8) 4.83 12.3 -111.12 3 6 2 72 463.965 4 ↓

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

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