| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 15 | Yes |
Popular Name: (2R)-2-methyl-4-[(3R,6R)-6-methyl-3-piperidyl]-1,4-oxazepane (2R)-2-methyl-4-[(3R,6R)-6-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) | 1.33 | 3.04 | -36.43 | 2 | 3 | 1 | 29 | 213.345 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 3.83 | -31.74 | 2 | 3 | 1 | 26 | 213.345 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 1.78 | -1.9 | 1 | 3 | 0 | 24 | 212.337 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.33 | 5.09 | -107.43 | 3 | 3 | 2 | 30 | 214.353 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
