| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 18 | Yes |
Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 2-[(1S,3S)-3-aminocyclohexyl]-1-…
| 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) | 0.68 | 5.48 | -88.61 | 4 | 4 | 2 | 52 | 255.406 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 3.07 | -45.25 | 3 | 4 | 1 | 51 | 254.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
