UCSF

ZINC22027575

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 3.32 8.7 -33.77 1 2 1 8 249.422 8
Mid Mid (pH 6-8) 3.32 8.8 -34.94 1 2 1 8 249.422 8
Lo Low (pH 4.5-6) 3.32 11.05 -104.72 2 2 2 9 250.43 8

Activity (Go SEA)

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