In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2007 | 32 | 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) | 1.65 | 5.24 | -61.92 | 1 | 10 | -1 | 145 | 441.416 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 4.69 | -26.92 | 2 | 10 | 0 | 142 | 442.424 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 5.52 | -19.34 | 1 | 10 | 0 | 139 | 442.424 | 10 | ↓ |