UCSF

ZINC41585355

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)-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-chromen-4-one 3-(4-chlorophenyl)-8-[[4-(3-chlo…

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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) 6.16 10.18 -11.03 1 5 0 57 481.379 4 ↓
Hi High (pH 8-9.5) 6.16 10.94 -41.69 0 5 -1 60 480.371 4 ↓
Mid Mid (pH 6-8) 6.16 12.42 -57.54 2 5 1 58 482.387 4 ↓

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

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