In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2008 | 33 | 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) | 3.91 | 11.26 | -10.11 | 0 | 6 | 0 | 81 | 457.869 | 2 | ↓ |
Ref Reference (pH 7) | 3.91 | 12.65 | -17.32 | 0 | 6 | 0 | 81 | 457.869 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 85 - 86 | MolMall (formerly Molecular Diversity Preservation International) |