In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 31 | 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) | 2.70 | 10.44 | -57.78 | 2 | 8 | 1 | 84 | 447.629 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.70 | 10.85 | -84.96 | 3 | 8 | 2 | 85 | 448.637 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.89 | 8.35 | -79.75 | 3 | 8 | 2 | 89 | 448.637 | 6 | ↓ |