| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 18 | No |
Popular Name: 8-methyl-4-(2-nitrooxyethyl)-2-oxa-4-azabicyclo[4.4.0]deca-7,9,11-trien-5-one 8-methyl-4-(2-nitrooxyethyl)-2-o…
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| 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) | 2.36 | 1.21 | -14.4 | 0 | 7 | 0 | 84 | 252.226 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 35 | 0.58 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 35 | 0.58 | Functional ≤ 10μM |
