In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2005 | 25 | 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) | 4.03 | 10.09 | -12.46 | 1 | 4 | 0 | 51 | 326.403 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.03 | 10.37 | -39.3 | 2 | 4 | 1 | 52 | 327.411 | 5 | ↓ |