In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 30 | 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) | 8.16 | 2.15 | -1.69 | 1 | 1 | 0 | 20 | 412.702 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 122 - 123 | MolMall (formerly Molecular Diversity Preservation International) |