UCSF

ZINC43401096

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) -0.83 3.67 -38.12 4 5 1 77 249.338 3
Mid Mid (pH 6-8) -0.83 4.66 -7.75 3 5 0 75 248.33 3
Lo Low (pH 4.5-6) -0.83 4.09 -92.43 5 5 2 78 250.346 3

Activity (Go SEA)

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