UCSF

ZINC39081455

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) -0.36 0.39 -110.02 5 3 2 52 162.277 6
Mid Mid (pH 6-8) -0.36 -1.1 -42.61 4 3 1 51 161.269 6

Activity (Go SEA)

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