| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 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) | 3.28 | 14.68 | -31.51 | 2 | 10 | 0 | 119 | 642.845 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.28 | 15.04 | -52.34 | 3 | 10 | 1 | 120 | 643.853 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-4-one](http://zinc12.docking.org/img/rings/471264.gif)
![2-(4-keto-2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-3-yl)-N-[2-(2-pyridyl)ethyl]acetamide](http://zinc12.docking.org/img/rings/471351.gif)