UCSF

ZINC41585969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 Yes

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

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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) 3.57 8.15 -43.59 2 8 1 90 474.537 6 ↓
Mid Mid (pH 6-8) 3.57 7.84 -16.85 1 8 0 88 473.529 6 ↓
Mid Mid (pH 6-8) 3.57 10.08 -55.45 2 8 1 89 474.537 6 ↓
Mid Mid (pH 6-8) 3.57 10.39 -114.91 3 8 2 91 475.545 6 ↓

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

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