UCSF

ZINC49099837

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.59 4.47 -7.96 0 4 0 48 226.235 2
Lo Low (pH 4.5-6) 2.59 4.9 -32.09 1 4 1 49 227.243 2

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

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