In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2009 | 52 | 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) | 8.09 | 21.94 | -101.59 | 4 | 8 | 2 | 92 | 715.036 | 6 | ↓ |
Hi High (pH 8-9.5) | 8.09 | 20.7 | -50.22 | 3 | 8 | 1 | 88 | 714.028 | 6 | ↓ |