| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 17 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propanoic (2S)-2-amino-2-cyclopropyl-3-[(2…
| 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) | -1.57 | 4.78 | -74.5 | 4 | 5 | 1 | 81 | 243.327 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.57 | 3.07 | -46.7 | 2 | 5 | -1 | 79 | 241.311 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.57 | 4.33 | -35.88 | 3 | 5 | 0 | 80 | 242.319 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.57 | 3.37 | -35.24 | 3 | 5 | 0 | 80 | 242.319 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
