UCSF

ZINC41585067

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 Yes

Popular Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenoxy)chromen-4-one 8-[[4-(1,3-benzodioxol-5-ylmethy…

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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) 4.19 8.93 -57.73 2 9 1 95 517.558 7 ↓
Hi High (pH 8-9.5) 4.19 7.44 -48.28 0 9 -1 97 515.542 7 ↓
Mid Mid (pH 6-8) 4.19 6.67 -18.78 1 9 0 94 516.55 7 ↓
Mid Mid (pH 6-8) 4.19 8.95 -57.16 2 9 1 95 517.558 7 ↓

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

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