UCSF

ZINC49256730

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 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) 1.32 3.27 -44.97 4 3 1 60 207.297 5
Hi High (pH 8-9.5) 1.32 1.92 -8.22 3 3 0 55 206.289 5

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Rings

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