UCSF

ZINC57993079

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 28 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) 2.68 6.29 -55.54 1 7 -1 92 398.464 7
Mid Mid (pH 6-8) 2.68 6.26 -18.16 2 7 0 89 399.472 7
Mid Mid (pH 6-8) 2.57 9.72 -42.42 1 4 1 28 340.491 5

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

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