In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 9th, 2010 | 27 | 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) | 1.38 | 9.61 | -26.03 | 2 | 6 | 0 | 94 | 392.883 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 8.51 | -40.83 | 1 | 6 | -1 | 90 | 391.875 | 6 | ↓ |