In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 1st, 2008 | 29 | 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) | 2.23 | 5.32 | -103.22 | 0 | 10 | -2 | 153 | 415.745 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.23 | 4.31 | -44.79 | 1 | 10 | -1 | 150 | 416.753 | 4 | ↓ |