| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 12 | No |
Popular Name: 4-chloro-5h-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde 4-chloro-5h-pyrrolo[3,2-d]pyrimi…
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CAS Number: 1311275-26-9
| 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) | 1.07 | 2.72 | -8.74 | 1 | 4 | 0 | 59 | 181.582 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 2.25 | -28.95 | 0 | 4 | -1 | 57 | 180.574 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >96% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![5H-pyrrolo[3,2-d]pyrimidine](http://zinc12.docking.org/img/rings/68585.gif)