UCSF

ZINC41585619

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-benzofu (2E)-2-[(1-ethylindol-3-yl)methy…

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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) 5.28 12.08 -11.88 1 6 0 62 497.57 5 ↓
Mid Mid (pH 6-8) 5.28 12.68 -43.79 0 6 -1 65 496.562 5 ↓
Mid Mid (pH 6-8) 5.28 14.34 -50.8 2 6 1 63 498.578 5 ↓
Mid Mid (pH 6-8) 5.28 14.9 -34.23 1 6 0 66 497.57 5 ↓

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

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