| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 7 | Yes |
Popular Name: DNC012000 DNC012000
Find On: PubMed — Wikipedia — Google
CAS Numbers: 52882-14-1 , 68210-17-3
2-Oxazolamine, 4,5-dihydro-4-methyl- (9CI)
2-Oxazolamine, 4,5-dihydro-4-methyl-, (R)- (9CI)
4-methyl-4,5-dihydro-1,3-oxazol-2-amine
| 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) | -0.19 | -2.41 | -30.22 | 3 | 3 | 1 | 49 | 101.129 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | -2.36 | -29.99 | 3 | 3 | 1 | 47 | 101.129 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-4-E | Nitric-oxide Synthase, Brain (cluster #4 Of 7), Eukaryotic | Eukaryotes | 9800 | 1.00 | Binding ≤ 10μM |
| NOS2-2-E | Nitric Oxide Synthase, Inducible (cluster #2 Of 9), Eukaryotic | Eukaryotes | 1500 | 1.16 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 1500 | 1.16 | Binding ≤ 10μM |
| NOS1_MOUSE | Q9Z0J4 | Nitric-oxide Synthase, Brain, Mouse | 9800 | 1.00 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nitric oxide stimulates guanylate cyclase | |
| Phagosomal maturation (early endosomal stage) |
No pre-computed analogs available. Try a structural similarity search.