| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 9 | Yes |
Popular Name: 2-Oxazolamine, 4-ethyl-4,5-dihydro-5-methyl-, (4S,5S)- (9CI) 2-Oxazolamine, 4-ethyl-4,5-dihyd…
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CAS Number: 599206-83-4
| 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) | 0.71 | -0.87 | -29.42 | 3 | 3 | 1 | 49 | 129.183 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-4-E | Nitric-oxide Synthase, Brain (cluster #4 Of 7), Eukaryotic | Eukaryotes | 2300 | 0.88 | Binding ≤ 10μM |
| NOS2-2-E | Nitric Oxide Synthase, Inducible (cluster #2 Of 9), Eukaryotic | Eukaryotes | 170 | 1.05 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 170 | 1.05 | Binding ≤ 1μM |
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 170 | 1.05 | Binding ≤ 10μM |
| NOS1_MOUSE | Q9Z0J4 | Nitric-oxide Synthase, Brain, Mouse | 2300 | 0.88 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nitric oxide stimulates guanylate cyclase | |
| Phagosomal maturation (early endosomal stage) |
No pre-computed analogs available. Try a structural similarity search.