UCSF

ZINC41584808

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 Yes

Popular Name: (3-chloro-7-hydroxy-4-oxo-chromen-8-yl)methylBLAHone (3-chloro-7-hydroxy-4-oxo-chrome…

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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) 2.64 6.19 -16.74 1 6 0 76 398.846 2 ↓
Hi High (pH 8-9.5) 2.64 6.96 -57.66 0 6 -1 79 397.838 2 ↓
Lo Low (pH 4.5-6) 2.64 8.34 -58.6 2 6 1 77 399.854 2 ↓

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Rings

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

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