UCSF

ZINC36160127

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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) 0.65 4.06 -54.09 3 6 1 80 324.426 6
Hi High (pH 8-9.5) 0.65 1.78 -14.77 2 6 0 78 323.418 6
Hi High (pH 8-9.5) 1.11 1.37 -50.79 2 6 0 83 323.418 6

Activity (Go SEA)

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