In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 29 | 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) | 3.77 | 8.25 | -10.69 | 0 | 5 | 0 | 56 | 449.304 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.77 | 0.44 | -126.83 | 2 | 5 | 2 | 58 | 451.32 | 3 | ↓ |