| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2008 | 24 | No |
Popular Name: (3S,11bS)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydropyrido[2,1-a]isoquinolin-2-one (3S,11bS)-3-isobutyl-9,10-dimeth…
| 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) | 3.31 | 7.43 | -45.4 | 2 | 5 | 1 | 55 | 333.452 | 4 | ↓ |
| Ref Reference (pH 7) | 3.31 | 7.4 | -48.23 | 2 | 5 | 1 | 55 | 333.452 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 5.3 | -7.17 | 1 | 5 | 0 | 54 | 332.444 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 5.26 | -8.82 | 1 | 5 | 0 | 54 | 332.444 | 4 | ↓ |
![1,3,4,6,7,11b-hexahydropyrido[2,1-a]isoquinolin-2-ylideneamine](http://zinc12.docking.org/img/rings/100123.gif)
