UCSF

ZINC33505855

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 11 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) 0.83 3.87 -85.43 4 3 2 44 159.277 5
Ref Reference (pH 7) 0.96 3.81 -84.7 4 3 2 42 159.277 6
Hi High (pH 8-9.5) 0.83 1.1 -29.12 3 3 1 43 158.269 5
Hi High (pH 8-9.5) 0.83 1.39 -29.36 3 3 1 43 158.269 5

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

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