| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 14 | Yes |
Popular Name: MFCD17779304 MFCD17779304
Find On: PubMed — Wikipedia — Google
CAS Number: 1253789-15-9
| 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) | 0.60 | 2.38 | -6.74 | 1 | 6 | 0 | 89 | 211.202 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | -0.21 | -37.94 | 0 | 6 | -1 | 92 | 210.194 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![1H-pyrimido[4,5-d][1,3]oxazine-2,4-quinone](http://zinc12.docking.org/img/rings/286820.gif)