UCSF

ZINC66216690

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 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) 2.47 5.27 -45.39 3 4 1 55 249.334 8
Hi High (pH 8-9.5) 2.47 3.93 -11.46 2 4 0 50 248.326 8

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Rings

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