UCSF

ZINC41684926

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.71 5.98 -94.68 5 4 2 61 275.396 6
Hi High (pH 8-9.5) 0.71 5.57 -44.27 4 4 1 60 274.388 6

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Rings

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