In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2011 | 19 | 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) | 4.87 | 10.64 | -46.5 | 2 | 1 | 1 | 17 | 270.387 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.87 | 9.59 | -3.92 | 1 | 1 | 0 | 12 | 269.379 | 9 | ↓ |