UCSF

ZINC53932285

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) 2.17 5.6 -2.86 1 3 0 24 276.424 7
Mid Mid (pH 6-8) 2.17 6.62 -40.71 2 3 1 29 277.432 7
Mid Mid (pH 6-8) 2.17 7.87 -35.54 2 3 1 26 277.432 7
Lo Low (pH 4.5-6) 2.17 8.9 -118.2 3 3 2 30 278.44 7

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

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