In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 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) | 5.51 | 17.41 | -17.05 | 1 | 8 | 0 | 105 | 469.545 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.51 | 17.86 | -41.41 | 2 | 8 | 1 | 106 | 470.553 | 6 | ↓ |