UCSF

ZINC67981950

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 23 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) 1.17 6.67 -36.6 1 6 1 47 318.445 5
Lo Low (pH 4.5-6) 1.17 8.49 -110.89 2 6 2 48 319.453 5
Lo Low (pH 4.5-6) 1.17 6.59 -35.87 1 6 1 47 318.445 5

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

No pre-computed analogs available. Try a structural similarity search.