In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 16 | 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) | 2.31 | 4.92 | -47.02 | 1 | 4 | -1 | 70 | 223.248 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.31 | 2.94 | -9.97 | 2 | 4 | 0 | 67 | 224.256 | 7 | ↓ |