In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 27 | 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) | 2.86 | 6.71 | -61.06 | 1 | 5 | -1 | 81 | 402.879 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.86 | 5.97 | -15.79 | 2 | 5 | 0 | 78 | 403.887 | 6 | ↓ |