UCSF

ZINC05285878

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 24 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) 3.64 9.85 -16.66 0 5 0 61 320.348 3
Mid Mid (pH 6-8) 3.64 9.68 -36.91 1 5 1 62 321.356 3

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

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