| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2010 | 15 | No |
Popular Name: (3S)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(5-methyl-1H-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) | -1.34 | -1.15 | -18.83 | 2 | 6 | 0 | 88 | 230.293 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.34 | -0.14 | -49.66 | 2 | 6 | 0 | 91 | 230.293 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.34 | -0 | -67.97 | 3 | 6 | 1 | 92 | 231.301 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
