UCSF

ZINC52946051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 16 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) 1.37 7.4 -10.44 3 4 0 60 234.328 3
Mid Mid (pH 6-8) 2.10 7.27 -40.56 2 4 -1 57 233.32 3

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

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