| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 23 | Yes |
Popular Name: (2S)-2-amino-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-3-(1H-imidazol-4-yl)propan-1-one (2S)-2-amino-1-[3-(2,6-dimethylp…
| 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) | 0.89 | 5.35 | -40.41 | 4 | 6 | 1 | 86 | 315.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 5.01 | -13.7 | 3 | 6 | 0 | 84 | 314.389 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 5.6 | -42.95 | 4 | 6 | 1 | 85 | 315.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 5.84 | -114.93 | 5 | 6 | 2 | 87 | 316.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
