In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 13 | 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) | 2.03 | 4.46 | -6.61 | 0 | 2 | 0 | 26 | 208.311 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 4.94 | -46.82 | 0 | 2 | -1 | 26 | 207.303 | 2 | ↓ |