| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 13 | No |
Popular Name: 5-[(3R)-1,1-dioxothiolan-3-yl]-4H-1,2,4-triazole-3-thiol 5-[(3R)-1,1-dioxothiolan-3-yl]-4…
| 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) | -0.29 | 0.91 | -48.42 | 1 | 5 | -1 | 76 | 218.283 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 0.88 | -38.26 | 2 | 5 | 0 | 77 | 219.291 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.01 | 0.85 | -22.51 | 2 | 5 | 0 | 79 | 219.291 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
