UCSF

ZINC56874872

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 23 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) -5.04 -13.99 -197.29 14 10 3 197 339.413 4
Hi High (pH 8-9.5) -5.04 -13.4 -86.8 13 10 2 196 338.405 4
Hi High (pH 8-9.5) -5.04 -14.82 -125.05 13 10 2 193 338.405 4

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

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