| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2008 | 11 | 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) | -3.00 | 1.41 | -108.48 | 3 | 5 | -1 | 94 | 154.149 | 3 | ↓ |
| Mid Mid (pH 6-8) | -3.00 | 1.16 | -85.36 | 5 | 5 | 1 | 98 | 156.165 | 3 | ↓ |
| Mid Mid (pH 6-8) | -3.00 | 0.9 | -123.18 | 2 | 5 | -2 | 92 | 153.141 | 3 | ↓ |
| Mid Mid (pH 6-8) | -3.00 | 0.94 | -134.31 | 2 | 5 | -2 | 92 | 153.141 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | ca 281? dec. | Alfa-Aesar |
| Melting_Point | ca 281° dec. | Alfa-Aesar |
