| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methyl-pyridin-2-amine 3-(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) | 1.92 | 7.53 | -40.22 | 2 | 4 | 1 | 39 | 270.356 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 5.29 | -7.04 | 1 | 4 | 0 | 37 | 269.348 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 7.91 | -98.06 | 3 | 4 | 2 | 40 | 271.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 5.68 | -31.88 | 2 | 4 | 1 | 39 | 270.356 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
