UCSF

ZINC26972781

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 28 No

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) 0.55 0.07 -8.5 1 9 0 88 403.472 6
Mid Mid (pH 6-8) 0.55 2.46 -43.51 2 9 1 89 404.48 6

Activity (Go SEA)

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