| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 20 | Yes |
Popular Name: N-[[2-(azepan-1-yl)-4,6-dimethyl-pyrimidin-5-yl]methyl]propan-1-amine N-[[2-(azepan-1-yl)-4,6-dimethyl…
| 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) | 3.41 | 10.57 | -43.26 | 2 | 4 | 1 | 46 | 277.436 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 9.16 | -5.41 | 1 | 4 | 0 | 41 | 276.428 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 10.88 | -96.73 | 3 | 4 | 2 | 47 | 278.444 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
