| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 27th, 2011 | 27 | No |
Popular Name: (3S)-3-[(4aR)-1,3,4,4a-tetrahydropyrido[4,3-b]indol-2-yl]-1-benzyl-pyrrolidine-2,5-dione (3S)-3-[(4aR)-1,3,4,4a-tetrahydr…
| 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) | 2.20 | 7.82 | -34.23 | 1 | 5 | 1 | 55 | 360.437 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 10.01 | -110.87 | 2 | 5 | 2 | 56 | 361.445 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole](http://zinc12.docking.org/img/rings/343309.gif)
![3-(1,3,4,4a-tetrahydropyrido[4,3-b]indol-2-yl)-1-benzyl-pyrrolidine-2,5-quinone](http://zinc12.docking.org/img/rings/343392.gif)