In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 16 | Yes |
Popular Name: (3R)-1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-N-methyl-pyrrolidin-3-amine (3R)-1-[(1R,8aR)-1,2,3,5,6,7,8,8…
None
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) | 1.29 | 6.86 | -199.69 | 4 | 3 | 3 | 25 | 226.388 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.38 | -36.68 | 2 | 3 | 1 | 23 | 224.372 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.73 | -30 | 2 | 3 | 1 | 20 | 224.372 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 2.08 | -0.53 | 1 | 3 | 0 | 19 | 223.364 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 5.03 | -93.13 | 3 | 3 | 2 | 24 | 225.38 | 2 | ↓ |