| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 9 | No |
| 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) | -0.26 | 1.46 | -38.58 | 3 | 3 | 1 | 54 | 150.223 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.26 | 2 | -29.32 | 3 | 3 | 0 | 54 | 149.215 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 123-125? | Alfa-Aesar |
| Melting_Point | 123-125° | Alfa-Aesar |
