UCSF

ZINC21633836

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 28 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) 3.36 5.94 -68.45 2 6 1 71 430.884 5
Mid Mid (pH 6-8) 3.36 6.84 -18.79 1 6 0 70 429.876 5

Activity (Go SEA)

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