UCSF

ZINC49400425

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

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) 2.39 7.73 -45.72 2 6 1 79 280.348 7
Hi High (pH 8-9.5) 2.39 5.5 -14.2 1 6 0 78 279.34 7

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Rings

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