| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2006 | 18 | Yes |
Popular Name: 1,3-Dihydroxy-5-methyl-9H-xanthen-9-one 1,3-Dihydroxy-5-methyl-9H-xanthe…
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CAS Numbers: , 50493-39-5
| 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) | 3.18 | 3.56 | -10.88 | 2 | 4 | 0 | 71 | 242.23 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 4.29 | -59.56 | 1 | 4 | -1 | 73 | 241.222 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 4.35 | -45.31 | 1 | 4 | -1 | 73 | 241.222 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 280° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
