| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2010 | 26 | Yes |
Popular Name: (3R,4R)-4-(azepan-1-yl)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-ol (3R,4R)-4-(azepan-1-yl)-1-[[4-(4…
| 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) | 2.50 | 5.81 | -34.8 | 3 | 4 | 1 | 48 | 357.518 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 6.71 | -40.51 | 2 | 4 | 0 | 51 | 356.51 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 8.08 | -112.32 | 4 | 4 | 2 | 49 | 358.526 | 4 | ↓ |
