UCSF

ZINC41585318

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

Popular Name: (2E)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-benzofu (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) 5.77 12.25 -11.25 1 6 0 62 514.025 5 ↓
Mid Mid (pH 6-8) 5.77 13.01 -44.51 0 6 -1 65 513.017 5 ↓
Mid Mid (pH 6-8) 5.77 14.48 -49.56 2 6 1 63 515.033 5 ↓
Mid Mid (pH 6-8) 5.77 15.22 -32.11 1 6 0 66 514.025 5 ↓

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

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