| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2010 | 16 | No |
Popular Name: Nitrol Nitrol
| 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) | 2.57 | 8.12 | -8.59 | 0 | 12 | 0 | 165 | 241.112 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306-3-O | Aorta (cluster #3 Of 6), Other | Other | 940 | 0.53 | Functional ≤ 10μM |
| Z50588-5-O | Canis Familiaris (cluster #5 Of 7), Other | Other | 7 | 0.71 | Functional ≤ 10μM |
| Z50592-4-O | Oryctolagus Cuniculus (cluster #4 Of 8), Other | Other | 16 | 0.68 | Functional ≤ 10μM |
| Z50597-7-O | Rattus Norvegicus (cluster #7 Of 12), Other | Other | 2200 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306 | Z102306 | Aorta | 29 | 0.66 | Functional ≤ 10μM |
| Z50588 | Z50588 | Canis Familiaris | 10 | 0.70 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 16 | 0.68 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1900 | 0.50 | Functional ≤ 10μM |
