In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 13th, 2009 | 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) | 0.22 | 8.16 | -98.05 | 2 | 9 | 0 | 116 | 403.414 | 6 | ↓ |
Lo Low (pH 4.5-6) | -3.36 | 7.22 | -71.71 | 3 | 9 | 1 | 119 | 404.422 | 5 | ↓ |