UCSF

ZINC41585272

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-meth (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 5.44 9.37 -10.97 1 7 0 75 504.97 4 ↓
Mid Mid (pH 6-8) 5.44 12.19 -33.56 1 7 0 79 504.97 4 ↓
Mid Mid (pH 6-8) 5.44 11.63 -54.94 2 7 1 77 505.978 4 ↓
Mid Mid (pH 6-8) 5.44 9.97 -42.23 0 7 -1 78 503.962 4 ↓

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

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