UCSF

ZINC20118546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 3.35 8.34 -36.37 1 3 1 17 295.834 6
Mid Mid (pH 6-8) 3.35 8.26 -38.37 1 3 1 17 295.834 6
Mid Mid (pH 6-8) 3.35 5.87 -3.61 0 3 0 16 294.826 6

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

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