| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 21 | No |
Popular Name: (3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine (3S)-3-[(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) | 0.11 | 6.46 | -62.04 | 1 | 6 | 1 | 69 | 315.463 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.11 | 4.24 | -20.35 | 0 | 6 | 0 | 68 | 314.455 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.11 | 6.89 | -105.74 | 2 | 6 | 2 | 71 | 316.471 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
