| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanoic (2S)-2-amino-2-cyclopropyl-3-(3,…
| 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) | -0.78 | 6.58 | -76.92 | 4 | 5 | 1 | 81 | 277.344 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | 4.58 | -49.05 | 2 | 5 | -1 | 79 | 275.328 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | 6.33 | -44.77 | 3 | 5 | 0 | 80 | 276.336 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.78 | 4.86 | -35.68 | 3 | 5 | 0 | 80 | 276.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
