| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 17 | No |
Popular Name: 4-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-propyl-1,2,4-triazole-3-thiol 4-[(1R,8R)-2,3,5,6,7,8-hexahydro…
| 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) | 1.88 | 7.89 | -59.47 | 1 | 4 | 0 | 35 | 252.387 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 5.45 | -44.03 | 0 | 4 | -1 | 34 | 251.379 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 7.96 | -47.59 | 2 | 4 | 1 | 38 | 253.395 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
