UCSF

ZINC43448285

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 0.20 4.77 -41.71 2 4 1 37 240.371 5
Mid Mid (pH 6-8) 0.20 5.78 -114.71 3 4 2 41 241.379 5

Activity (Go SEA)

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