In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 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) | 3.78 | 11.26 | -14.92 | 2 | 9 | 0 | 126 | 481.456 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.23 | 10.42 | -46.59 | 1 | 9 | -1 | 129 | 480.448 | 9 | ↓ |