In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 22 | 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) | 1.54 | 7.61 | -48.9 | 1 | 5 | -1 | 78 | 298.318 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 9.27 | -26.91 | 2 | 5 | 0 | 83 | 299.326 | 7 | ↓ |