UCSF

ZINC43460856

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) -1.19 -0.38 -47.27 5 5 1 89 272.126 2
Hi High (pH 8-9.5) -1.19 -1.18 -35.46 3 5 -1 86 270.11 2
Hi High (pH 8-9.5) -1.19 -0.71 -7.78 4 5 0 88 271.118 2
Mid Mid (pH 6-8) -1.19 -0.9 -41.74 4 5 0 88 271.118 2

Activity (Go SEA)

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