UCSF

ZINC69236677

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 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) 3.85 6.46 -27.25 3 4 1 51 294.463 5
Hi High (pH 8-9.5) 3.85 5.64 -6.52 2 4 0 50 293.455 5
Mid Mid (pH 6-8) 3.85 6.98 -40.23 3 4 1 55 294.463 5
Mid Mid (pH 6-8) 3.85 7.79 -110.18 4 4 2 56 295.471 5

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

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