In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 20 | No |
Popular Name: 4-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-(2-pyridyl)-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) | 1.68 | 8.53 | -54.62 | 1 | 5 | 0 | 48 | 287.392 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 6.1 | -47.24 | 0 | 5 | -1 | 47 | 286.384 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.96 | 8.43 | -39.89 | 2 | 5 | 1 | 51 | 288.4 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.