In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2005 | 31 | 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) | 0.07 | -12.79 | -97.93 | 1 | 9 | -2 | 159 | 456.457 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 138 - 142 | MolMall (formerly Molecular Diversity Preservation International) |