In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 2nd, 2006 | 29 | 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) | 2.89 | 8.82 | -12.56 | 2 | 7 | 0 | 89 | 415.563 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.14 | 5.52 | -36.4 | 3 | 7 | 1 | 98 | 416.571 | 8 | ↓ |