In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 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) | 4.65 | 12.82 | -43.87 | 0 | 6 | -1 | 79 | 470.545 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.65 | 11.68 | -18.98 | 1 | 6 | 0 | 76 | 471.553 | 8 | ↓ |