UCSF

ZINC71552324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) -0.17 6.17 -61.96 2 5 0 71 277.246 6
Mid Mid (pH 6-8) -0.17 5.5 -37.51 3 5 1 68 278.254 6
Mid Mid (pH 6-8) -0.17 5.66 -52.97 1 5 -1 70 276.238 6

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

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