| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: (2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-piperazin-1-yl-propan-1-one (2S)-2-(3,5-dihydro-2H-1,4-benzo…
| 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) | 0.59 | 4.53 | -36.22 | 2 | 5 | 1 | 46 | 290.387 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | 2.38 | -9.78 | 1 | 5 | 0 | 45 | 289.379 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 5.78 | -99.79 | 3 | 5 | 2 | 51 | 291.395 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 3.67 | -53.37 | 2 | 5 | 1 | 49 | 290.387 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
