UCSF

ZINC42457535

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 2.40 7.36 -35.83 1 3 1 35 210.297 6
Hi High (pH 8-9.5) 2.40 5.08 -6.24 0 3 0 33 209.289 6

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Rings

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