| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 18 | Yes |
Popular Name: 3-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-3-azabicyclo[3.1.0]hexane-2-carboxylic acid 3-{7H-pyrrolo[2,3-d]pyrimidin-4-…
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CAS Number: 1296172-33-2
3-{7H-Pyrrolo[2,3-d]pyrimidin-4-yl}-3-azabicyclo-[3.1.0]hexane-2-carboxylic acid
3-{7h-pyrrolo[2,3-d]pyrimidin-4-yl}-3-azabicyclo-[3.1.0]hexane-2-carboxylicacid
| 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) | -0.48 | 8.35 | -32 | 2 | 6 | 0 | 86 | 244.254 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.48 | 7.46 | -56.79 | 1 | 6 | -1 | 85 | 243.246 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 183 - 184 | KeyOrganics |
| MP | 183-184° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![3-azabicyclo[3.1.0]hexane](http://zinc12.docking.org/img/rings/3016.gif)
![7H-pyrrolo[2,3-d]pyrimidine](http://zinc12.docking.org/img/rings/7073.gif)
![4-(3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine](http://zinc12.docking.org/img/rings/286857.gif)