UCSF

ZINC13284849

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 11 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.16 -0.47 -39.77 3 7 -1 107 150.125 1
Mid Mid (pH 6-8) -1.16 -0.45 -50.46 3 7 -1 107 150.125 1
Mid Mid (pH 6-8) -1.16 -0.03 -47.51 4 7 0 109 151.133 1
Mid Mid (pH 6-8) -1.16 -0.75 -34.09 4 7 0 109 151.133 1
Mid Mid (pH 6-8) -1.16 -0.71 -51.3 4 7 0 109 151.133 1
Lo Low (pH 4.5-6) -2.17 -0.39 -28.43 5 7 1 112 152.141 0

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

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