UCSF

ZINC41584812

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 Yes

Popular Name: [3-(4-chlorophenyl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methylBLAHone [3-(4-chlorophenyl)-7-hydroxy-2-…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 4.66 12.89 -62.37 2 6 1 77 489.979 3 ↓
Hi High (pH 8-9.5) 4.66 13.47 -36.82 1 6 0 80 488.971 3 ↓
Hi High (pH 8-9.5) 4.66 10.74 -21.29 1 6 0 76 488.971 3 ↓

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

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