| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 20 | Yes |
Popular Name: [2-[(1S,3R)-3-methylcyclohexyl]sulfanyl-5,6,7,8-tetrahydroquinolin-3-yl]methanamine [2-[(1S,3R)-3-methylcyclohexyl]s…
| 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) | 4.08 | 8.66 | -42.3 | 3 | 2 | 1 | 41 | 291.484 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 8.22 | -4.42 | 2 | 2 | 0 | 39 | 290.476 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
