In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 24th, 2008 | 17 | 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) | 1.87 | 3.92 | -13.48 | 3 | 5 | 0 | 69 | 248.311 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 1.84 | -42.83 | 2 | 5 | -1 | 72 | 247.303 | 4 | ↓ |