UCSF

ZINC41585976

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 4.14 8.97 -41.67 2 8 1 90 474.537 6 ↓
Hi High (pH 8-9.5) 4.14 9.4 -46.53 0 8 -1 91 472.521 6 ↓
Mid Mid (pH 6-8) 4.14 8.62 -14.85 1 8 0 88 473.529 6 ↓
Mid Mid (pH 6-8) 4.14 10.85 -56.7 2 8 1 89 474.537 6 ↓
Mid Mid (pH 6-8) 4.14 11.21 -115.34 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.