| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2006 | 19 | Yes |
| 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) | 1.90 | 3.33 | -16.94 | 3 | 5 | 0 | 88 | 277.349 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 2.88 | -54.48 | 2 | 5 | -1 | 87 | 276.341 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.90 | 3.19 | -58.56 | 4 | 5 | 1 | 90 | 278.357 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 198-201? | Alfa-Aesar |
| Melting_Point | 198-201° | Alfa-Aesar |
