In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 9 | 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) | 0.80 | 5.28 | -47.88 | 0 | 2 | -1 | 40 | 125.147 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.80 | 3.31 | -5.07 | 1 | 2 | 0 | 37 | 126.155 | 1 | ↓ |