UCSF

ZINC41584785

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Substance Information

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

Popular Name: [(2Z)-6-hydroxy-3-oxo-2-(2-pyridylmethylene)benzofuran-7-yl]methylBLAHone [(2Z)-6-hydroxy-3-oxo-2-(2-pyrid…

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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) 2.28 10.48 -58.26 2 7 1 90 442.495 3 ↓
Hi High (pH 8-9.5) 2.28 8.92 -49.49 0 7 -1 91 440.479 3 ↓
Mid Mid (pH 6-8) 2.28 11.07 -35.22 1 7 0 93 441.487 3 ↓
Mid Mid (pH 6-8) 2.28 8.34 -24.47 1 7 0 89 441.487 3 ↓

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

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