In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 18 | Yes |
Popular Name: (1R,8aR)-N-[(1S)-1-(3-pyridyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1S)-1-(3-pyridyl)et…
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) | 1.86 | 6.55 | -32.6 | 2 | 3 | 1 | 29 | 246.378 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 5.39 | -37.09 | 2 | 3 | 1 | 33 | 246.378 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.86 | 7.65 | -109.81 | 3 | 3 | 2 | 34 | 247.386 | 3 | ↓ |