| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2006 | 17 | Yes |
Popular Name: 1,3-Dihydroxy-9H-xanthen-9-one 1,3-Dihydroxy-9H-xanthen-9-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 3875-68-1 , [3875-68-1]
| 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) | 2.78 | 2.61 | -18.18 | 2 | 4 | 0 | 71 | 228.203 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 3.63 | -64.12 | 1 | 4 | -1 | 73 | 227.195 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 3.4 | -48.85 | 1 | 4 | -1 | 73 | 227.195 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
