In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 33 | 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) | 3.44 | 6.59 | -21.29 | 1 | 9 | 0 | 89 | 469.567 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.44 | 8.74 | -60.19 | 2 | 9 | 1 | 90 | 470.575 | 8 | ↓ |