In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 38 | 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 | 11.75 | -74.87 | 1 | 8 | 0 | 93 | 518.61 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.92 | 11 | -50.07 | 2 | 8 | 1 | 90 | 519.618 | 11 | ↓ |