UCSF

ZINC41585922

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-(2-pyridylmethylene)-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one (2Z)-6-hydroxy-2-(2-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) 2.45 7.68 -35.56 2 7 1 84 415.473 4 ↓
Hi High (pH 8-9.5) 2.45 8.13 -47.21 0 7 -1 86 413.457 4 ↓
Mid Mid (pH 6-8) 2.45 9.89 -100.66 3 7 2 85 416.481 4 ↓
Mid Mid (pH 6-8) 2.45 7.36 -12.44 1 7 0 83 414.465 4 ↓
Lo Low (pH 4.5-6) 2.45 9.59 -44.18 2 7 1 84 415.473 4 ↓

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

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