In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 34 | Yes |
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) | 2.73 | 11.66 | -21.39 | 1 | 7 | 0 | 80 | 455.562 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 12.05 | -44.38 | 2 | 7 | 1 | 81 | 456.57 | 9 | ↓ |