UCSF

ZINC57724491

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 16 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) 0.87 -0.23 -45.6 2 5 -1 91 241.292 5
Lo Low (pH 4.5-6) 0.87 -0.4 -17.59 3 5 0 89 242.3 5

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Rings

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