| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | No |
Popular Name: (5-amino-1H-1,2,4-triazol-3-yl)-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methanone (5-amino-1H-1,2,4-triazol-3-yl)-…
| 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) | -0.15 | 4.78 | -11.42 | 3 | 6 | 0 | 88 | 241.32 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 4.61 | -38.52 | 2 | 6 | -1 | 86 | 240.312 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
