UCSF

ZINC64539305

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 21 Yes

Popular Name: (1S,2S,3S,4R)-3-(2-morpholinoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2S,3S,4R)-3-(2-morpholinoeth…

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) -0.50 0.68 -40.25 1 7 -1 91 297.331 5 ↓
Mid Mid (pH 6-8) -0.50 2.95 -55.15 2 7 0 92 298.339 5 ↓
Lo Low (pH 4.5-6) -0.50 0.96 -46.87 3 7 1 89 299.347 5 ↓

Activity (Go SEA)

Rings

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

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