UCSF

ZINC41585214

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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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) 5.50 9.67 -10.76 1 5 0 57 446.934 4 ↓
Hi High (pH 8-9.5) 5.50 10.42 -42.12 0 5 -1 60 445.926 4 ↓
Mid Mid (pH 6-8) 5.50 11.91 -55.34 2 5 1 58 447.942 4 ↓

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

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