In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 15 | 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) | 3.40 | 5.52 | -41.86 | 0 | 2 | -1 | 40 | 248.06 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 7.88 | -14.12 | 0 | 2 | 0 | 34 | 249.068 | 3 | ↓ |