In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 33 | 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) | 3.92 | 11.38 | -73.48 | 1 | 7 | 0 | 91 | 473.639 | 13 | ↓ |
Lo Low (pH 4.5-6) | 3.92 | 10.63 | -48.56 | 2 | 7 | 1 | 88 | 474.647 | 13 | ↓ |