UCSF

ZINC41585677

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

Popular Name: 6-hydroxy-2-isopropylidene-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-benzofuran-3-one 6-hydroxy-2-isopropylidene-7-[[4…

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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) 4.18 9.04 -47.89 2 6 1 67 409.506 4 ↓
Mid Mid (pH 6-8) 4.18 9.81 -31.06 1 6 0 70 408.498 4 ↓
Mid Mid (pH 6-8) 4.18 6.81 -9.9 1 6 0 66 408.498 4 ↓
Mid Mid (pH 6-8) 4.18 7.57 -43.61 0 6 -1 69 407.49 4 ↓

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