UCSF

ZINC36161309

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 No

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) -0.89 -1.68 -31.69 2 5 0 77 248.348 5
Mid Mid (pH 6-8) -0.89 -2.21 -49.96 3 5 1 74 249.356 5
Mid Mid (pH 6-8) -0.89 -0.12 -124.94 4 5 2 75 250.364 5

Activity (Go SEA)

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