In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2009 | 19 | 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) | 2.02 | 4.42 | -13.55 | 4 | 6 | 0 | 104 | 317.15 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.02 | 4.92 | -32.65 | 5 | 6 | 1 | 105 | 318.158 | 1 | ↓ |