| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 47 | 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) | 4.18 | 11.76 | -25.52 | 2 | 10 | 0 | 117 | 641.813 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.18 | 12.11 | -50.94 | 3 | 10 | 1 | 118 | 642.821 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-4-one](http://zinc12.docking.org/img/rings/471264.gif)
![2-[12b-(2-cyclopentylethyl)-4-keto-1-(morpholine-4-carbonyl)-1,2,3,6,7,12-hexahydropyrido[2,1-a]$b-carbolin-3-yl]-N-[2-(2-pyridyl)ethyl]acetamide](http://zinc12.docking.org/img/rings/476585.gif)