UCSF

ZINC66961230

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 19 Yes

Popular Name: 2-[(2S)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-methyl-acetamide 2-[(2S)-2-[[(2S,6S)-2,6-dimethyl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.94 3.65 -36.05 2 5 1 46 270.397 4 ↓
Hi High (pH 8-9.5) 0.94 1.3 -8.87 1 5 0 45 269.389 4 ↓
Lo Low (pH 4.5-6) 0.94 3.47 -38.2 2 5 1 46 270.397 4 ↓

Activity (Go SEA)

Rings

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

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