In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 24 | Yes |
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) | 4.36 | 8.44 | -11.56 | 1 | 4 | 0 | 51 | 320.392 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.36 | 8.75 | -27.79 | 2 | 4 | 1 | 52 | 321.4 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.54 | 8.77 | -26.72 | 2 | 4 | 1 | 56 | 321.4 | 2 | ↓ |