In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2011 | 29 | No |
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) | 2.67 | 5.63 | -15.96 | 1 | 8 | 0 | 89 | 413.455 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.00 | 6.58 | -42.19 | 2 | 8 | 1 | 89 | 414.463 | 5 | ↓ |