| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 20 | Yes |
Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-[(1R,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) | 1.43 | 6.36 | -90.68 | 4 | 4 | 2 | 52 | 283.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 4.24 | -50.69 | 3 | 4 | 1 | 51 | 282.452 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
