UCSF

ZINC34800280

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 33 No

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) -0.06 0.22 -51.14 7 10 0 186 478.885 2
Hi High (pH 8-9.5) -0.06 -0.76 -103.37 5 10 -2 187 476.869 2
Hi High (pH 8-9.5) 0.39 2.5 -199.64 5 10 -2 191 476.869 2
Hi High (pH 8-9.5) -0.64 1.33 -85.57 4 10 0 184 476.869 2
Mid Mid (pH 6-8) -0.64 3 -68.74 5 10 0 185 477.877 2
Mid Mid (pH 6-8) -0.64 1.99 -57.06 6 10 0 182 478.885 2
Mid Mid (pH 6-8) 0.39 1.51 -111.08 6 10 -1 188 477.877 2
Mid Mid (pH 6-8) 0.39 -0.63 -128.84 5 10 -2 187 476.869 2
Mid Mid (pH 6-8) -0.06 -1.76 -51.6 6 10 -1 184 477.877 2
Lo Low (pH 4.5-6) -0.64 -0.7 -38.49 7 10 0 180 479.893 2

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

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