In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 18 | 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) | 3.52 | 6.94 | -49.1 | 0 | 3 | -1 | 53 | 254.187 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 145 - 148 | MolMall (formerly Molecular Diversity Preservation International) |