| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 16 | Yes |
Popular Name: N-methyl-1-[(3S)-1-[2-(1-piperidyl)ethyl]pyrrolidin-3-yl]methanamine N-methyl-1-[(3S)-1-[2-(1-piperid…
| 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) | 1.57 | 5.2 | -82.14 | 3 | 3 | 2 | 24 | 227.396 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 7.56 | -186.88 | 4 | 3 | 3 | 25 | 228.404 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 2.98 | -38.7 | 2 | 3 | 1 | 23 | 226.388 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 5.34 | -98.72 | 3 | 3 | 2 | 24 | 227.396 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
