| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: N-methyl-1-[6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]methanamine N-methyl-1-[6-[(3R)-3-(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) | 1.83 | 8.33 | -82.86 | 3 | 4 | 2 | 37 | 276.428 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 6.17 | -36.69 | 2 | 4 | 1 | 36 | 275.42 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 5.1 | -23.89 | 2 | 4 | 1 | 33 | 275.42 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 4.72 | -4.16 | 1 | 4 | 0 | 31 | 274.412 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 7.25 | -83.32 | 3 | 4 | 2 | 34 | 276.428 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
