| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 16 | No |
Popular Name: 4-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…
| 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) | 1.30 | 8.14 | -62.88 | 1 | 4 | 0 | 35 | 238.36 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 7.57 | -46.07 | 0 | 4 | -1 | 34 | 237.352 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 8.01 | -49.84 | 2 | 4 | 1 | 38 | 239.368 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
