UCSF

ZINC43907902

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.22 8.5 -85.03 3 3 2 24 295.515 5
Mid Mid (pH 6-8) 3.22 7.37 -30.07 2 3 1 20 294.507 5
Mid Mid (pH 6-8) 3.22 7.36 -30.85 2 3 1 20 294.507 5
Mid Mid (pH 6-8) 3.22 9.55 -98.03 3 3 2 21 295.515 5

Activity (Go SEA)

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