UCSF

ZINC41584780

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Substance Information

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

Popular Name: [(2Z)-6-hydroxy-2-[(5-methyl-2-furyl)methylene]-3-oxo-benzofuran-7-yl]methylBLAHone [(2Z)-6-hydroxy-2-[(5-methyl-2-f…

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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) 2.93 11.47 -59.28 2 7 1 90 445.495 3 ↓
Hi High (pH 8-9.5) 2.93 9.9 -49.37 0 7 -1 92 443.479 3 ↓
Mid Mid (pH 6-8) 2.93 12.05 -35.92 1 7 0 93 444.487 3 ↓
Mid Mid (pH 6-8) 2.93 9.32 -24.57 1 7 0 89 444.487 3 ↓

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