| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: 3-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-thienyl]prop-2-yn-1-amine 3-[2-(3,5-dihydro-2H-1,4-benzoxa…
| 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) | 1.84 | 5.65 | -51.99 | 3 | 3 | 1 | 40 | 299.419 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 7.75 | -102.51 | 4 | 3 | 2 | 41 | 300.427 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 5.24 | -7.18 | 2 | 3 | 0 | 38 | 298.411 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
