| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 18 | Yes |
Popular Name: 4-[(3S,6S)-6-methyl-3-piperidyl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[(3S,6S)-6-methyl-3-piperidyl]…
| 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) | 2.12 | 5.58 | -33.95 | 2 | 3 | 1 | 26 | 247.362 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 4.73 | -41.71 | 2 | 3 | 1 | 29 | 247.362 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 3.46 | -3.47 | 1 | 3 | 0 | 24 | 246.354 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.12 | 6.87 | -112.2 | 3 | 3 | 2 | 30 | 248.37 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
