In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 14 | 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) | 2.42 | 4.46 | -12.26 | 1 | 3 | 0 | 47 | 214.648 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 5.39 | -52.89 | 0 | 3 | -1 | 49 | 213.64 | 4 | ↓ |