| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 8 | No |
Popular Name: 5-Bromomethyl-4,5-dihydro-oxazol-2-ylamine 5-Bromomethyl-4,5-dihydro-oxazol…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 52886-60-9 , 54377-65-0
5-Bromomethyl-4,5-dihydro-oxazol-2-ylamine hydrobromide
5-Bromomethyl-4,5-dihydro-oxazol-2-ylaminehydrobromide
5-Bromomethyl-oxazolidin-(2Z)-ylideneamine
| 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) | 0.20 | -1.67 | -34.77 | 3 | 3 | 1 | 49 | 180.025 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.33 | -2.21 | -11.94 | 2 | 3 | 0 | 45 | 179.017 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-4-E | Nitric-oxide Synthase, Brain (cluster #4 Of 7), Eukaryotic | Eukaryotes | 400 | 1.12 | Binding ≤ 10μM |
| NOS2-2-E | Nitric Oxide Synthase, Inducible (cluster #2 Of 9), Eukaryotic | Eukaryotes | 500 | 1.10 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 500 | 1.10 | Binding ≤ 1μM |
| NOS1_MOUSE | Q9Z0J4 | Nitric-oxide Synthase, Brain, Mouse | 400 | 1.12 | Binding ≤ 1μM |
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 500 | 1.10 | Binding ≤ 10μM |
| NOS1_MOUSE | Q9Z0J4 | Nitric-oxide Synthase, Brain, Mouse | 400 | 1.12 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nitric oxide stimulates guanylate cyclase | |
| Phagosomal maturation (early endosomal stage) |
No pre-computed analogs available. Try a structural similarity search.