In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 17 | 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) | 3.82 | 10.42 | -25.81 | 1 | 2 | 1 | 19 | 223.299 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 9.98 | -11.05 | 0 | 2 | 0 | 17 | 222.291 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 39 - 42 | MolMall (formerly Molecular Diversity Preservation International) |