In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 16 | 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) | 3.52 | 5.55 | -7.65 | 1 | 2 | 0 | 37 | 232.666 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.52 | 6.32 | -40.97 | 0 | 2 | -1 | 40 | 231.658 | 2 | ↓ |