In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 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) | 1.92 | 8.24 | -56.02 | 0 | 9 | -1 | 106 | 478.525 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 10.57 | -60.56 | 1 | 9 | 0 | 108 | 479.533 | 7 | ↓ |