UCSF

ZINC41585710

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-6-hydroxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-me (2Z)-2-[(2,3-dimethoxyphenyl)met…

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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) 4.77 10.79 -55.66 2 8 1 86 517.602 7 ↓
Hi High (pH 8-9.5) 4.77 9.33 -43.53 0 8 -1 87 515.586 7 ↓
Mid Mid (pH 6-8) 4.77 11.55 -34.61 1 8 0 89 516.594 7 ↓
Mid Mid (pH 6-8) 4.77 8.56 -12.35 1 8 0 85 516.594 7 ↓

Activity (Go SEA)

Rings

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