In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 15 | No |
Popular Name: N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4,5-dihydrothiazol-2-amine N-[(1R,8aS)-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) | 1.44 | 6.01 | -82.89 | 3 | 3 | 2 | 30 | 227.377 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 3.72 | -26.35 | 2 | 3 | 1 | 29 | 226.369 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 3.87 | -27.55 | 2 | 3 | 1 | 29 | 226.369 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.