UCSF

ZINC41585972

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 4.96 10.18 -37.94 2 6 1 71 507.408 4 ↓
Mid Mid (pH 6-8) 4.96 9.86 -11.41 1 6 0 70 506.4 4 ↓
Mid Mid (pH 6-8) 4.96 12.1 -52.2 2 6 1 71 507.408 4 ↓
Mid Mid (pH 6-8) 4.96 12.39 -111.13 3 6 2 72 508.416 4 ↓

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

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