| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 29 | 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) | 3.15 | 6.52 | -53.13 | 2 | 5 | -1 | 98 | 405.555 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.15 | 4.53 | -10.44 | 3 | 5 | 0 | 95 | 406.563 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 105 - 107 | MolMall (formerly Molecular Diversity Preservation International) |
| mp | 219.5 | MolMall (formerly Molecular Diversity Preservation International) |
