| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: (3S)-N,N-dimethyl-1-[(1S,2S)-2-(methylamino)cyclooctyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[(1S,2S)-2-(…
| 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) | 2.67 | 6.88 | -96.02 | 3 | 3 | 2 | 24 | 255.45 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 5.83 | -27.96 | 2 | 3 | 1 | 20 | 254.442 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 4.48 | -31.67 | 2 | 3 | 1 | 23 | 254.442 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
