| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 17 | Yes |
Popular Name: (4S)-2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (4S)-2,6-dimethyl-4-phenyl-5,7-d…
| 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) | 3.22 | 10.12 | -37.93 | 1 | 1 | 1 | 4 | 244.383 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 7.7 | -3.3 | 0 | 1 | 0 | 3 | 243.375 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 8000 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 560 | 0.51 | Functional ≤ 10μM |
