UCSF

ZINC42449952

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 No

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) 0.05 6.93 -18.9 0 4 0 51 209.245 4
Hi High (pH 8-9.5) 0.06 5.94 -52.43 0 4 -1 57 208.237 4

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Rings

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