UCSF

ZINC41585565

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-(4-fluorophenyl)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) 4.95 11.19 -57.49 2 7 1 77 489.523 4 ↓
Mid Mid (pH 6-8) 4.95 11.75 -36.23 1 7 0 79 488.515 4 ↓
Mid Mid (pH 6-8) 4.95 8.93 -11.9 1 7 0 75 488.515 4 ↓
Mid Mid (pH 6-8) 4.95 9.52 -41 0 7 -1 78 487.507 4 ↓

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

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