UCSF

ZINC41585622

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2Z)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-7-[[4-(4-fluorophenyl)piper…

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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) 3.51 8.21 -12.79 1 6 0 70 431.467 4 ↓
Mid Mid (pH 6-8) 3.51 8.81 -44.79 0 6 -1 73 430.459 4 ↓
Mid Mid (pH 6-8) 3.51 11.04 -33.25 1 6 0 74 431.467 4 ↓
Mid Mid (pH 6-8) 3.51 10.47 -49.71 2 6 1 71 432.475 4 ↓

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

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