UCSF

ZINC58113021

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 19 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) 0.77 2.26 -11.46 2 7 0 96 272.293 3
Mid Mid (pH 6-8) 0.36 1.16 -42.45 0 7 -1 99 271.285 3

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

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