In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 17 | Yes |
Popular Name: N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]thiazole-4-carboxamide N-[(1S,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) | 1.34 | 4.18 | -36.17 | 2 | 4 | 1 | 46 | 252.363 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.34 | 2.03 | -8.2 | 1 | 4 | 0 | 45 | 251.355 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.