| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 19 | Yes |
Popular Name: [2-[(1R,3R)-3-methylcyclohexyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-[(1R,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) | 3.56 | 7.84 | -42.25 | 3 | 2 | 1 | 41 | 277.457 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 7.44 | -4.34 | 2 | 2 | 0 | 39 | 276.449 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
