| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-thienylmethyl)ethanamine 2-(3,5-dihydro-2H-1,4-benzoxazep…
| 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) | 2.69 | 7.06 | -38.21 | 2 | 3 | 1 | 26 | 289.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 4.98 | -5.11 | 1 | 3 | 0 | 24 | 288.416 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 6.33 | -45.74 | 2 | 3 | 1 | 29 | 289.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
