UCSF

ZINC43399465

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) -0.65 4.47 -34.58 4 6 1 79 250.326 2
Mid Mid (pH 6-8) -0.65 4.89 -86.31 5 6 2 80 251.334 2
Mid Mid (pH 6-8) -0.65 2.54 -30.97 4 6 1 79 250.326 2
Mid Mid (pH 6-8) -0.65 2.11 -7.86 3 6 0 78 249.318 2

Activity (Go SEA)

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