In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 16 | 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) | 1.75 | 6.6 | -7.37 | 1 | 4 | 0 | 58 | 218.256 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 7.83 | -48.93 | 2 | 4 | 1 | 62 | 219.264 | 5 | ↓ |