UCSF

ZINC42454714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 1.73 5.22 -50.03 4 5 1 83 281.767 5
Mid Mid (pH 6-8) 1.73 3.23 -9.67 3 5 0 82 280.759 5

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Rings

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