UCSF

ZINC41584806

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

Popular Name: [7-hydroxy-2-oxo-3-(2-pyridyl)chromen-8-yl]methylBLAHone [7-hydroxy-2-oxo-3-(2-pyridyl)ch…

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.81 11.1 -61.94 2 7 1 90 442.495 3 ↓
Hi High (pH 8-9.5) 2.81 8.96 -30.81 1 7 0 89 441.487 3 ↓
Hi High (pH 8-9.5) 2.81 11.68 -33.17 1 7 0 93 441.487 3 ↓
Lo Low (pH 4.5-6) 2.81 11.49 -96.27 3 7 2 91 443.503 3 ↓

Activity (Go SEA)

Rings

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

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