UCSF

ZINC41585904

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

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

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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) 2.33 7.56 -37.92 2 7 1 84 415.473 4 ↓
Hi High (pH 8-9.5) 2.33 7.86 -41.26 0 7 -1 86 413.457 4 ↓
Mid Mid (pH 6-8) 2.33 9.82 -108.16 3 7 2 85 416.481 4 ↓
Mid Mid (pH 6-8) 2.33 7.26 -12.46 1 7 0 83 414.465 4 ↓
Lo Low (pH 4.5-6) 2.33 10.3 -179.67 4 7 3 86 417.489 4 ↓

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

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