| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: N-[(5-bromo-2-pyridyl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(5-bromo-2-pyridyl)methyl]-2-…
| 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) | 1.74 | 5.07 | -35.94 | 2 | 3 | 1 | 29 | 285.209 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 4.08 | -41.16 | 2 | 3 | 1 | 33 | 285.209 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 6.45 | -117.55 | 3 | 3 | 2 | 34 | 286.217 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
