UCSF

ZINC13679130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 36 No

Popular Name: 6-[dimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]ammonio]hexyl-[3-(1,3-dioxoisoindolin-2-yl)propyl]-d 6-[dimethyl-[4-(2-oxopyrrolidin-…

Find On: PubMed — Wikipedia — Google

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) -4.18 18.41 -88.52 0 7 2 59 496.696 13 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.