| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 14 | Yes |
Popular Name: (7R)-7-(2-ethylbutyl)-4,5,6,7-tetrahydro-3H-azepin-2-amine (7R)-7-(2-ethylbutyl)-4,5,6,7-te…
| 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) | 3.63 | 6.54 | -28.36 | 3 | 2 | 1 | 40 | 197.346 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-4-E | Nitric-oxide Synthase, Brain (cluster #4 Of 7), Eukaryotic | Eukaryotes | 5400 | 0.53 | Binding ≤ 10μM |
| NOS2-1-E | Nitric Oxide Synthase, Inducible (cluster #1 Of 9), Eukaryotic | Eukaryotes | 2100 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 2100 | 0.57 | Binding ≤ 10μM |
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 3300 | 0.55 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 5400 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nitric oxide stimulates guanylate cyclase | |
| Phagosomal maturation (early endosomal stage) |
