| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: [(2S,3S)-3-methyl-1-(2-pyrrolidin-1-ylethyl)-2-piperidyl]methanamine [(2S,3S)-3-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) | 0.72 | 4.58 | -104.06 | 4 | 3 | 2 | 35 | 227.396 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 2.13 | -41.5 | 3 | 3 | 1 | 34 | 226.388 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | 6.42 | -224.03 | 5 | 3 | 3 | 37 | 228.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
