UCSF

ZINC53932218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 Yes

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) 1.85 6.98 -33.49 2 3 1 20 276.448 7
Hi High (pH 8-9.5) 1.85 8.11 -89.09 3 3 2 24 277.456 7
Hi High (pH 8-9.5) 1.85 5.74 -39.05 2 3 1 23 276.448 7
Lo Low (pH 4.5-6) 1.85 8 -115.45 3 3 2 24 277.456 7

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

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