UCSF

ZINC52851213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 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) 2.66 8.12 -8.96 0 3 0 24 248.37 5
Lo Low (pH 4.5-6) 2.66 8.87 -23.67 1 3 0 25 249.378 5

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Rings

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