UCSF

ZINC22152836

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 4.24 7.63 -35.77 2 2 1 20 269.497 6
Mid Mid (pH 6-8) 4.24 9.98 -114.09 3 2 2 21 270.505 6

Activity (Go SEA)

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