UCSF

ZINC57991695

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.07 -1.71 -18.01 2 6 0 96 230.179 0
Mid Mid (pH 6-8) 1.51 -0.71 -43.01 1 6 -1 99 229.171 0

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

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