UCSF

ZINC41585848

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-6-hydroxy-4-methyl-2-(m-tolylmethylene)-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one (2Z)-6-hydroxy-4-methyl-2-(m-tol…

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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) 4.42 10.39 -34.17 2 6 1 71 442.539 4 ↓
Hi High (pH 8-9.5) 4.42 10.81 -44.09 0 6 -1 73 440.523 4 ↓
Mid Mid (pH 6-8) 4.42 11.15 -51.36 1 6 0 74 441.531 4 ↓
Mid Mid (pH 6-8) 4.42 10.05 -9.77 1 6 0 70 441.531 4 ↓
Mid Mid (pH 6-8) 4.42 12.24 -47.03 2 6 1 71 442.539 4 ↓
Lo Low (pH 4.5-6) 4.42 12.59 -105.28 3 6 2 72 443.547 4 ↓

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

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