UCSF

ZINC43396736

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.46 7.25 -13.46 2 4 0 55 286.404 5
Mid Mid (pH 6-8) 1.46 7.66 -42.4 3 4 1 56 287.412 5
Mid Mid (pH 6-8) 1.46 7.71 -36.64 3 4 1 56 287.412 5
Lo Low (pH 4.5-6) 1.46 8.12 -81.98 4 4 2 58 288.42 5

Activity (Go SEA)

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