In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 35 | 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) | 3.45 | 0.55 | -48.17 | 2 | 7 | 1 | 80 | 483.56 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 0.4 | -58.36 | 1 | 7 | 1 | 77 | 483.56 | 9 | ↓ |