In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 21 | 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) | 3.60 | 8.32 | -13.18 | 1 | 3 | 0 | 42 | 276.339 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.60 | 8.7 | -30.33 | 2 | 3 | 1 | 43 | 277.347 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 213 | MolMall (formerly Molecular Diversity Preservation International) |