| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 16 | Yes |
Popular Name: 1-methyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]-1,4-diazepane 1-methyl-4-[[(3R)-3-methyl-3-pip…
| 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) | 0.96 | 5.68 | -79.82 | 3 | 3 | 2 | 24 | 227.396 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 3.72 | -37.6 | 2 | 3 | 1 | 23 | 226.388 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 7.18 | -181.49 | 4 | 3 | 3 | 25 | 228.404 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
