| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethyl-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) | 2.30 | 6.49 | -31.67 | 2 | 4 | 1 | 39 | 284.383 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 8.35 | -39.68 | 2 | 4 | 1 | 39 | 284.383 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 8.7 | -98.01 | 3 | 4 | 2 | 40 | 285.391 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 6.12 | -6.76 | 1 | 4 | 0 | 37 | 283.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
