| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 20 | No |
Popular Name: (3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-methylsulfonylethyl)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) | -0.16 | 5.69 | -60.33 | 1 | 6 | 1 | 69 | 301.436 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.16 | 3.46 | -18.01 | 0 | 6 | 0 | 68 | 300.428 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.16 | 6.12 | -104.58 | 2 | 6 | 2 | 71 | 302.444 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
