In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2010 | 42 | 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) | 1.73 | 3.82 | -48.74 | 3 | 12 | -1 | 179 | 589.662 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.10 | 5.93 | -14.96 | 4 | 12 | 0 | 173 | 590.67 | 6 | ↓ |