In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 12 | 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) | -2.78 | 2.71 | -44.68 | 3 | 4 | 0 | 92 | 188.252 | 6 | ↓ |
Hi High (pH 8-9.5) | -2.78 | 2.39 | -46.86 | 2 | 4 | -1 | 90 | 187.244 | 6 | ↓ |