UCSF

ZINC53932237

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) 2.03 5.58 -3.08 1 3 0 24 276.424 6
Mid Mid (pH 6-8) 2.03 7.85 -35.83 2 3 1 26 277.432 6
Mid Mid (pH 6-8) 2.03 6.6 -40.11 2 3 1 29 277.432 6
Lo Low (pH 4.5-6) 2.03 8.88 -117 3 3 2 30 278.44 6

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

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