UCSF

ZINC41584721

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [(2Z)-6-hydroxy-4-methyl-3-oxo-2-(2-thienylmethylene)benzofuran-7-yl]methylBLAHone [(2Z)-6-hydroxy-4-methyl-3-oxo-2…

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Download: MOL2 SDF SMILES Flexibase

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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) 3.73 11.55 -58.31 2 6 1 77 461.563 3 ↓
Hi High (pH 8-9.5) 3.73 9.99 -45.11 0 6 -1 79 459.547 3 ↓
Mid Mid (pH 6-8) 3.73 9.4 -20.58 1 6 0 76 460.555 3 ↓
Mid Mid (pH 6-8) 3.73 12.13 -33.56 1 6 0 80 460.555 3 ↓

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

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