In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 31 | 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) | 6.03 | 9.56 | -25.08 | 2 | 8 | 0 | 121 | 455.879 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.03 | 9.82 | -49.66 | 1 | 8 | -1 | 123 | 454.871 | 5 | ↓ |