| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 17 | No |
Popular Name: (2S)-1-[(3R)-3-imidazol-1-yl-1-piperidyl]-2-methylsulfanyl-propan-1-one (2S)-1-[(3R)-3-imidazol-1-yl-1-p…
| 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) | 0.62 | 8.17 | -38.06 | 1 | 4 | 1 | 39 | 254.379 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 7.47 | -14.74 | 0 | 4 | 0 | 38 | 253.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
