| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: [(2S,4R)-4-(azepan-1-yl)-2-methyl-tetrahydropyran-4-yl]methanamine [(2S,4R)-4-(azepan-1-yl)-2-methy…
| 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) | 1.37 | 4.63 | -119.15 | 4 | 3 | 2 | 41 | 228.38 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 4.65 | -28.45 | 3 | 3 | 1 | 40 | 227.372 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 3.5 | -45.98 | 3 | 3 | 1 | 40 | 227.372 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
