UCSF

ZINC43401173

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) -1.73 -2.49 -36.05 6 6 1 108 239.299 6
Mid Mid (pH 6-8) -1.73 -2.37 -6.74 5 6 0 106 238.291 6
Lo Low (pH 4.5-6) -1.73 -2.07 -89 7 6 2 109 240.307 6

Activity (Go SEA)

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