UCSF

ZINC22168657

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 1.97 4.25 -47.77 3 3 1 44 225.356 7
Mid Mid (pH 6-8) 1.97 6.4 -118.91 4 3 2 45 226.364 7
Mid Mid (pH 6-8) 1.97 6.07 -27.44 3 3 1 44 225.356 7

Activity (Go SEA)

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