| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 22 | No |
Popular Name: (2S)-1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]-2-propylsulfonyl-propan-1-one (2S)-1-[(3R)-3-(2-methylimidazol…
| 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) | 0.46 | 6.41 | -47.03 | 1 | 6 | 1 | 74 | 328.458 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 5.94 | -28.44 | 0 | 6 | 0 | 72 | 327.45 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
