In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 34 | 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) | -0.52 | 4.79 | -64.97 | 5 | 9 | 1 | 130 | 466.493 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.52 | 4.41 | -17.27 | 4 | 9 | 0 | 129 | 465.485 | 6 | ↓ |