In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 15 | Yes |
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) | -0.78 | -0.12 | -91.54 | 5 | 4 | 2 | 56 | 217.357 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.78 | -2.39 | -44.68 | 4 | 4 | 1 | 54 | 216.349 | 7 | ↓ |