In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | Yes |
Popular Name: (1S,8aR)-N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(2,3-dimethoxyphenyl…
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) | 2.36 | 6.82 | -32.98 | 2 | 4 | 1 | 35 | 291.415 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 4.57 | -4.76 | 1 | 4 | 0 | 34 | 290.407 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 7.99 | -107.33 | 3 | 4 | 2 | 40 | 292.423 | 5 | ↓ |