UCSF

ZINC56874753

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 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) 0.76 0.96 -54.44 2 6 -1 100 252.275 3
Lo Low (pH 4.5-6) 0.76 1 -14.38 3 6 0 98 253.283 3

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

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