| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: (1S,2R)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(3-pyridyl)propan-2-amine (1S,2R)-1-(3,5-dihydro-2H-1,4-be…
| 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) | 1.16 | 3.86 | -48.96 | 3 | 4 | 1 | 53 | 284.383 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 3.58 | -6.52 | 2 | 4 | 0 | 51 | 283.375 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 4.31 | -113.68 | 4 | 4 | 2 | 54 | 285.391 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
