| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: N-[[2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]ethanamine N-[[2-(2-pyridylmethyl)pyrimidin…
| 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) | 1.08 | 4.99 | -44.04 | 2 | 4 | 1 | 55 | 229.307 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 3.62 | -8 | 1 | 4 | 0 | 51 | 228.299 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 5.4 | -85.7 | 3 | 4 | 2 | 57 | 230.315 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
