In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 35 | 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) | 5.07 | 10.57 | -62.54 | 0 | 7 | -1 | 88 | 480.581 | 13 | ↓ |
Lo Low (pH 4.5-6) | 5.07 | 9.82 | -16.95 | 1 | 7 | 0 | 85 | 481.589 | 13 | ↓ |