UCSF

ZINC72267209

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2012 15 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) -2.89 4.09 -122.73 1 6 -2 109 215.205 6
Lo Low (pH 4.5-6) -2.89 2.31 -48.06 2 6 -1 107 216.213 6

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

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