| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 27 | Yes |
Popular Name: (Z)-7-[(1R,2S,3S,4S)-3-(o-tolylsulfonylamino)norbornan-2-yl]hept-5-enoic (Z)-7-[(1R,2S,3S,4S)-3-(o-tolyls…
None
| 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) | 4.36 | 10.18 | -50.1 | 1 | 5 | -1 | 86 | 390.525 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.36 | 8.2 | -13.17 | 2 | 5 | 0 | 83 | 391.533 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-6-O | Oryctolagus Cuniculus (cluster #6 Of 8), Other | Other | 6200 | 0.27 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 4 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 6200 | 0.27 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 3.7 | 0.44 | Functional ≤ 10μM |
