| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 17 | Yes |
Popular Name: 1-[4-[(3S,6R)-6-methyl-3-piperidyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(3S,6R)-6-methyl-3-piperid…
| 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) | 0.37 | 4.25 | -44.51 | 2 | 4 | 1 | 37 | 240.371 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | 3.79 | -47.74 | 2 | 4 | 1 | 40 | 240.371 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | 2.67 | -7.69 | 1 | 4 | 0 | 36 | 239.363 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.37 | 5.59 | -114.47 | 3 | 4 | 2 | 41 | 241.379 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
