UCSF

ZINC43445413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) 0.66 2.96 -107.78 4 3 2 41 200.326 5
Mid Mid (pH 6-8) 0.66 1.94 -35.69 3 3 1 37 199.318 5

Activity (Go SEA)

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