| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: [5-bromo-2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [5-bromo-2-[(3R)-3-(1-piperidyl)…
| 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) | 2.29 | 7.4 | -113.56 | 4 | 4 | 2 | 48 | 341.297 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 6.99 | -38.57 | 3 | 4 | 1 | 47 | 340.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 5.24 | -47.95 | 3 | 4 | 1 | 47 | 340.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 4.83 | -3.16 | 2 | 4 | 0 | 45 | 339.281 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
