UCSF

ZINC41585873

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one (2Z)-2-[(4-fluorophenyl)methylen…

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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) 3.78 9.41 -36.96 2 6 1 71 432.475 4 ↓
Hi High (pH 8-9.5) 3.78 9.7 -41.35 0 6 -1 73 430.459 4 ↓
Mid Mid (pH 6-8) 3.78 9.11 -11.55 1 6 0 70 431.467 4 ↓
Mid Mid (pH 6-8) 3.78 11.67 -107.31 3 6 2 72 433.483 4 ↓
Lo Low (pH 4.5-6) 3.78 11.35 -49.06 2 6 1 71 432.475 4 ↓

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

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