In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 28 | 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) | 2.71 | 8.49 | -12.9 | 1 | 6 | 0 | 77 | 376.46 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.71 | 8.67 | -44.26 | 2 | 6 | 1 | 78 | 377.468 | 3 | ↓ |