| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: (2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-tetrahydropyran-4-yl-ethanamine (2S)-2-(3,5-dihydro-2H-1,4-benzo…
| 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 | 2.57 | -50.88 | 3 | 4 | 1 | 49 | 277.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 1.98 | -4.55 | 2 | 4 | 0 | 48 | 276.38 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 4.43 | -133.76 | 4 | 4 | 2 | 51 | 278.396 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
