| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 46 | No |
| 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) | 5.21 | 16.96 | -28.44 | 2 | 8 | 0 | 98 | 617.794 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.21 | 17.31 | -49.41 | 3 | 8 | 1 | 100 | 618.802 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-4-one](http://zinc12.docking.org/img/rings/471264.gif)
![2-[4-keto-12b-phenethyl-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydropyrido[2,1-a]$b-carbolin-3-yl]-N-[2-(2-pyridyl)ethyl]acetamide](http://zinc12.docking.org/img/rings/484678.gif)