In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 24 | 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) | 2.47 | 5.82 | -13.08 | 3 | 8 | 0 | 116 | 371.802 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 4.72 | -38.02 | 2 | 8 | -1 | 123 | 370.794 | 5 | ↓ |