UCSF

ZINC41585460

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2E)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(4-phenylphenyl)methylene]benzofuran- (2E)-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) 6.43 13.33 -11.2 1 5 0 57 506.577 5 ↓
Mid Mid (pH 6-8) 6.43 13.92 -48.42 0 5 -1 60 505.569 5 ↓
Mid Mid (pH 6-8) 6.43 15.57 -43.65 2 5 1 58 507.585 5 ↓
Mid Mid (pH 6-8) 6.43 16.14 -32.45 1 5 0 61 506.577 5 ↓

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

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