| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 40 | 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) | 3.02 | 14.84 | -50.22 | 3 | 9 | 1 | 105 | 547.724 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 14.33 | -25.34 | 2 | 9 | 0 | 103 | 546.716 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-4-one](http://zinc12.docking.org/img/rings/471264.gif)
![N-(3-imidazol-1-ylpropyl)-2-(4-keto-2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-3-yl)acetamide](http://zinc12.docking.org/img/rings/484752.gif)