| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 20 | Yes |
Popular Name: (4S)-2,6-diethyl-4-(p-tolyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine (4S)-2,6-diethyl-4-(p-tolyl)-5,7…
| 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) | 4.61 | 12.23 | -36.17 | 1 | 1 | 1 | 4 | 286.464 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.61 | 9.95 | -2.91 | 0 | 1 | 0 | 3 | 285.456 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 270 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 1800 | 0.40 | Functional ≤ 10μM |
