| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: 1-[5-bromo-2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]-N-methyl-methanamine 1-[5-bromo-2-[(3R)-3-(1-piperidy…
| 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) | 2.66 | 9.22 | -107.75 | 3 | 4 | 2 | 37 | 355.324 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 8.13 | -35.72 | 2 | 4 | 1 | 33 | 354.316 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 5.98 | -3.62 | 1 | 4 | 0 | 31 | 353.308 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 7.07 | -42.19 | 2 | 4 | 1 | 36 | 354.316 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
