| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 10th, 2007 | 11 | Yes |
Popular Name: 3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 3-Bromo-1,5-dihydro-4H-pyrazolo[…
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CAS Numbers: 54738-73-7 , [54738-73-7]
3-Bromo-1,5-dihydro-4H-pyrazolo-[3,4-d]pyrimidin-4-one
3-bromo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-ol
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 3-bromo-1,5-dihydro-
| 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) | 0.86 | -0.51 | -38.43 | 1 | 5 | -1 | 78 | 214.002 | 0 | ↓ |
| Ref Reference (pH 7) | 0.86 | -0.57 | -36.93 | 1 | 5 | -1 | 78 | 214.002 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 1.57 | -12.35 | 2 | 5 | 0 | 74 | 215.01 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 1.46 | -13.4 | 2 | 5 | 0 | 74 | 215.01 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.