UCSF

ZINC41585868

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Substance Information

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

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

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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) 2.83 8.32 -35.48 2 7 1 84 429.5 4 ↓
Hi High (pH 8-9.5) 2.83 8.77 -48.22 0 7 -1 86 427.484 4 ↓
Mid Mid (pH 6-8) 2.83 9.09 -54.44 1 7 0 87 428.492 4 ↓
Mid Mid (pH 6-8) 2.83 8 -12.35 1 7 0 83 428.492 4 ↓
Mid Mid (pH 6-8) 2.83 10.23 -43.78 2 7 1 84 429.5 4 ↓
Lo Low (pH 4.5-6) 2.83 10.54 -100.39 3 7 2 85 430.508 4 ↓

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

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