| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 22 | Yes |
Popular Name: (2S)-2-[(4-dimethylaminophenyl)methyl]-6-hydroxy-tetralin-1-one (2S)-2-[(4-dimethylaminophenyl)m…
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) | 3.74 | 7.96 | -9.39 | 1 | 3 | 0 | 41 | 295.382 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102178-2-O | Liver Microsomes (cluster #2 Of 2), Other | Other | 1200 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102178 | Z102178 | Liver Microsomes | 1200 | 0.38 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
