| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2006 | 12 | No |
Popular Name: N-Nitroso-glyphosate N-Nitroso-glyphosate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 56516-71-3 , 56516-72-4
Acetic acid, 2-[nitroso(phosphonomethyl)amino]-
Glyphosate-N-nitroso mono sodium salt
Monosodium N-nitroso-N-phosphonomethylglycine; Sodium N-nitroso-N-phosphonoglycine
| 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) | -2.80 | -0.24 | -198.42 | 0 | 8 | -3 | 136 | 195.047 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.80 | -1.34 | -99.06 | 1 | 8 | -2 | 133 | 196.055 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AROA-2-B | 5-enolpyruvylshikimate-3-phosphate Synthase (cluster #2 Of 2), Bacterial | Bacteria | 2200 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AROA_ECOLI | P0A6D3 | 5-enolpyruvylshikimate-3-phosphate Synthase, Ecoli | 2200 | 0.66 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.