| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 21 | No |
Popular Name: (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine (2S)-2-[(3,5-dimethyl-1,2,4-tria…
| 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) | 0.23 | 5.77 | -55.91 | 1 | 6 | 1 | 69 | 315.463 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.23 | 3.64 | -17.85 | 0 | 6 | 0 | 68 | 314.455 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
