UCSF

ZINC57994305

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 17 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) 2.73 7.94 -112.74 3 3 2 34 258.793 6
Hi High (pH 8-9.5) 2.73 6.57 -35.37 2 3 1 30 257.785 6
Mid Mid (pH 6-8) 2.73 5.85 -39.9 2 3 1 33 257.785 6

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

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