UCSF

ZINC43401138

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) -0.09 3.26 -36.17 4 5 1 77 249.338 3
Mid Mid (pH 6-8) -0.09 3.31 -5.73 3 5 0 75 248.33 3
Lo Low (pH 4.5-6) -0.09 3.59 -92.11 5 5 2 78 250.346 3

Activity (Go SEA)

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