| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 9 | Yes |
Popular Name: DNC005009 DNC005009
Find On: PubMed — Wikipedia — Google
CAS Numbers: 765304-80-1 , 769100-40-5
1H-Pyrrolizin-3-amine, 5,6,7,7a-tetrahydro-, (S)- (9CI)
| 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) | 0.81 | 3.32 | -26.39 | 2 | 2 | 1 | 29 | 125.195 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.14 | 3.15 | -109.21 | 4 | 2 | 2 | 32 | 126.203 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.14 | 3.38 | -26.87 | 3 | 2 | 1 | 30 | 125.195 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-2-E | Nitric-oxide Synthase, Brain (cluster #2 Of 7), Eukaryotic | Eukaryotes | 9600 | 0.78 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 9600 | 0.78 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nitric oxide stimulates guanylate cyclase | |
| Phagosomal maturation (early endosomal stage) |
No pre-computed analogs available. Try a structural similarity search.