UCSF

ZINC43396152

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 2.10 5.52 -11.02 3 3 0 51 235.356 3
Mid Mid (pH 6-8) 2.10 5.81 -37.55 4 3 1 52 236.364 3

Activity (Go SEA)

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