| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 14 | No |
Popular Name: (3R)-1,1-dioxo-N-(4H-1,2,4-triazol-3-ylmethyl)thiolan-3-amine (3R)-1,1-dioxo-N-(4H-1,2,4-triaz…
| 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) | -1.43 | -1.07 | -16.64 | 2 | 6 | 0 | 88 | 216.266 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.42 | -1.05 | -16.33 | 2 | 6 | 0 | 88 | 216.266 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.43 | 0.11 | -66.95 | 3 | 6 | 1 | 92 | 217.274 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
