| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 27 | Yes |
Popular Name: Calycanthidine Calycanthidine
Find On: PubMed — Wikipedia — Google
CAS Number: 5516-85-8
None
| 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) | 3.50 | 5.42 | -3.97 | 1 | 4 | 0 | 22 | 360.505 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 8.02 | -43.51 | 2 | 4 | 1 | 23 | 361.513 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,2,3,3a,4,8b-hexahydropyrrolo[2,3-b]indole](http://zinc12.docking.org/img/rings/164579.gif)
![8b-(2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole](http://zinc12.docking.org/img/rings/169594.gif)