In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 38 | No |
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) | 3.33 | 9.45 | -64.15 | 1 | 8 | -1 | 108 | 516.57 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 8.7 | -17.9 | 2 | 8 | 0 | 106 | 517.578 | 12 | ↓ |