UCSF

ZINC41585877

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one (2Z)-2-[(2-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) 3.74 9.01 -37.86 2 6 1 71 432.475 4 ↓
Hi High (pH 8-9.5) 3.74 9.56 -41.82 0 6 -1 73 430.459 4 ↓
Mid Mid (pH 6-8) 3.74 11.21 -113.12 3 6 2 72 433.483 4 ↓
Mid Mid (pH 6-8) 3.74 8.79 -10.1 1 6 0 70 431.467 4 ↓
Lo Low (pH 4.5-6) 3.74 11 -50.92 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.