UCSF

ZINC22877218

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 20 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) 0.26 3.25 -112.7 4 5 2 60 288.432 9
Mid Mid (pH 6-8) 0.26 1.96 -36.7 3 5 1 55 287.424 9

Activity (Go SEA)

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