| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: 1-[3-chloro-6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-2-pyridyl]-N-methyl-methanamine 1-[3-chloro-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) | 2.84 | 8.73 | -82.18 | 3 | 4 | 2 | 37 | 310.873 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 6.58 | -33.02 | 2 | 4 | 1 | 36 | 309.865 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 7.29 | -40.57 | 2 | 4 | 1 | 33 | 309.865 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 5.13 | -3.97 | 1 | 4 | 0 | 31 | 308.857 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
