In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 2007 | 33 | 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) | 2.04 | -2.41 | -51.37 | 3 | 8 | 1 | 101 | 453.515 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.46 | -2.56 | -60.33 | 2 | 8 | 1 | 97 | 453.515 | 7 | ↓ |