UCSF

ZINC41585314

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-(3-chlorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(4-phenylphenyl)methylene]benzofuran- (2E)-7-[[4-(3-chlorophenyl)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) 6.97 13.33 -11.15 1 5 0 57 523.032 5 ↓
Mid Mid (pH 6-8) 6.97 13.91 -43.99 0 5 -1 60 522.024 5 ↓
Mid Mid (pH 6-8) 6.97 15.57 -50.81 2 5 1 58 524.04 5 ↓
Mid Mid (pH 6-8) 6.97 16.14 -33.08 1 5 0 61 523.032 5 ↓

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

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