UCSF

ZINC37336952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 4.03 10.66 -39.2 1 2 1 22 248.39 7
Hi High (pH 8-9.5) 4.03 8.75 -5.89 0 2 0 20 247.382 7

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Rings

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