UCSF

ZINC43401136

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) 0.19 3.78 -34.86 4 5 1 77 249.338 2
Mid Mid (pH 6-8) 0.19 4.81 -8.06 3 5 0 75 248.33 2
Lo Low (pH 4.5-6) 0.19 4.24 -92.05 5 5 2 78 250.346 2

Activity (Go SEA)

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