In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2007 | 19 | 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) | 3.54 | 7.2 | -9.47 | 2 | 3 | 0 | 45 | 258.365 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 72 - 73 | MolMall (formerly Molecular Diversity Preservation International) |