In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 22 | 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) | 3.00 | 5.8 | -11.5 | 3 | 5 | 0 | 71 | 405.339 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 4.73 | -36.46 | 2 | 5 | -1 | 77 | 404.331 | 5 | ↓ |