UCSF

ZINC53648450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 17 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) 2.35 8.67 -110.32 3 2 2 21 234.387 6
Mid Mid (pH 6-8) 2.35 7.37 -35.05 2 2 1 16 233.379 6
Mid Mid (pH 6-8) 2.35 6.36 -37.25 2 2 1 20 233.379 6

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

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