| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: [(3S,6S)-6-methyl-1-(2-pyrrolidin-1-ylethyl)-3-piperidyl]methanamine [(3S,6S)-6-methyl-1-(2-pyrrolidi…
| 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 | 3.82 | -90.28 | 4 | 3 | 2 | 35 | 227.396 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 1.37 | -43.7 | 3 | 3 | 1 | 34 | 226.388 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 3.49 | -100.87 | 4 | 3 | 2 | 35 | 227.396 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 5.94 | -191.93 | 5 | 3 | 3 | 37 | 228.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
