In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 18 | 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) | -0.82 | -1.19 | -11.58 | 2 | 7 | 0 | 108 | 249.226 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.36 | -3.72 | -45.04 | 1 | 7 | -1 | 111 | 248.218 | 2 | ↓ |