In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 35 | 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) | -0.64 | 4.15 | -75.85 | 3 | 10 | 1 | 117 | 480.593 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.64 | 4.47 | -116.71 | 4 | 10 | 2 | 118 | 481.601 | 5 | ↓ |