UCSF

ZINC55413583

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 25 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) 2.05 5.1 -47.38 4 6 1 84 339.419 7
Hi High (pH 8-9.5) 2.05 4.72 -10.53 3 6 0 82 338.411 7
Lo Low (pH 4.5-6) 2.05 5.66 -99.6 5 6 2 85 340.427 7

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

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