UCSF

ZINC41585913

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-[(5-methyl-2-furyl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-o (2Z)-6-hydroxy-2-[(5-methyl-2-fu…

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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) 3.10 8.64 -36.71 2 7 1 84 418.473 4 ↓
Hi High (pH 8-9.5) 3.10 9.1 -46.97 0 7 -1 86 416.457 4 ↓
Mid Mid (pH 6-8) 3.10 10.87 -102.35 3 7 2 85 419.481 4 ↓
Mid Mid (pH 6-8) 3.10 8.33 -12.4 1 7 0 83 417.465 4 ↓
Lo Low (pH 4.5-6) 3.10 10.55 -45 2 7 1 84 418.473 4 ↓

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

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