UCSF

ZINC43705082

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) 1.36 4.98 -52.81 2 4 1 44 250.297 2
Mid Mid (pH 6-8) 1.36 3.61 -11.56 1 4 0 39 249.289 2

Activity (Go SEA)

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