UCSF

ZINC41585379

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-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-(2-thienylmethylene)benzofura (2Z)-7-[[4-(2-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) 4.91 11.98 -41.78 2 5 1 58 451.543 4 ↓
Mid Mid (pH 6-8) 4.91 10.32 -47.46 0 5 -1 60 449.527 4 ↓
Mid Mid (pH 6-8) 4.91 12.54 -29.92 1 5 0 61 450.535 4 ↓
Mid Mid (pH 6-8) 4.91 9.73 -9.41 1 5 0 57 450.535 4 ↓

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

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