UCSF

ZINC34800282

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) 0.39 0.69 -111.73 6 10 -1 188 477.877 2
Hi High (pH 8-9.5) -0.06 -0.74 -106.71 5 10 -2 187 476.869 2
Hi High (pH 8-9.5) -0.06 0.12 -234.75 4 10 -3 190 475.861 2
Mid Mid (pH 6-8) -0.06 1.41 -57.45 7 10 0 186 478.885 2
Mid Mid (pH 6-8) -0.64 2.69 -83.88 5 10 0 185 477.877 2
Mid Mid (pH 6-8) -0.64 1.69 -66.65 6 10 0 182 478.885 2
Mid Mid (pH 6-8) 0.39 -0.96 -134.75 5 10 -2 187 476.869 2
Mid Mid (pH 6-8) -0.06 -0.87 -138.72 5 10 -2 187 476.869 2
Mid Mid (pH 6-8) -0.06 0.79 -113.62 6 10 -1 188 477.877 2
Lo Low (pH 4.5-6) -0.64 -0.71 -48.48 7 10 0 180 479.893 2

Activity (Go SEA)

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