| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: 3-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-thienyl]prop-2-yn-1-amine 3-[5-(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) | 2.15 | 5.47 | -7.8 | 2 | 3 | 0 | 38 | 298.411 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 5.88 | -50.36 | 3 | 3 | 1 | 40 | 299.419 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.15 | 7.98 | -95.59 | 4 | 3 | 2 | 41 | 300.427 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
