| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (3S)-1-[(1S,2S)-2-(ethylamino)cyclooctyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1S,2S)-2-(ethylamino)cy…
| 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) | 3.05 | 6.7 | -28.68 | 2 | 3 | 1 | 20 | 268.469 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 5.29 | -31.54 | 2 | 3 | 1 | 23 | 268.469 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 7.68 | -85.81 | 3 | 3 | 2 | 24 | 269.477 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
