UCSF

ZINC39272066

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.49 -3.75 -36.67 1 9 -1 105 338.779 6
Mid Mid (pH 6-8) -0.49 -1.49 -56.45 2 9 0 106 339.787 6
Lo Low (pH 4.5-6) -0.49 -0.98 -53.43 3 9 1 104 340.795 5

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

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