UCSF

ZINC41584739

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Popular Name: [(2Z)-6-hydroxy-4-methyl-3-oxo-2-(4-pyridylmethylene)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) 2.54 10.75 -61.45 2 7 1 90 456.522 3 ↓
Hi High (pH 8-9.5) 2.54 9.2 -44.62 0 7 -1 91 454.506 3 ↓
Mid Mid (pH 6-8) 2.54 8.61 -22.26 1 7 0 89 455.514 3 ↓
Mid Mid (pH 6-8) 2.54 11.33 -34.44 1 7 0 93 455.514 3 ↓
Lo Low (pH 4.5-6) 2.54 11.23 -106.75 3 7 2 91 457.53 3 ↓

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

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