| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 19 | No |
Popular Name: 3,5-dimethyl-1-[[(2S)-1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole 3,5-dimethyl-1-[[(2S)-1-(2-methy…
| 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) | -0.55 | 2.7 | -18.49 | 0 | 6 | 0 | 68 | 286.401 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.55 | 4.96 | -47.8 | 1 | 6 | 1 | 69 | 287.409 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
