| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 21st, 2009 | 9 | No |
Popular Name: 2,5-Diazabicyclo[2.2.1]heptan-3-one, 2-hydroxy-, (1R)- (9CI) 2,5-Diazabicyclo[2.2.1]heptan-3-…
Find On: PubMed — Wikipedia — Google
CAS Number: 147713-36-8
| 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) | -0.90 | -1.85 | -50.71 | 3 | 4 | 1 | 57 | 129.139 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.90 | -3.11 | -12.29 | 2 | 4 | 0 | 53 | 128.131 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.90 | -0.82 | -69.59 | 2 | 4 | 0 | 60 | 128.131 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-6-O | Rattus Norvegicus (cluster #6 Of 12), Other | Other | 5000 | 0.82 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 5000 | 0.82 | Functional ≤ 10μM |
