In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 26 | 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) | 5.44 | -2.2 | -12.67 | 1 | 4 | 0 | 54 | 424.323 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.44 | -2.11 | -40.45 | 2 | 4 | 1 | 56 | 425.331 | 3 | ↓ |