In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 37 | 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) | 0.80 | 4.68 | -44.47 | 6 | 15 | 1 | 203 | 513.539 | 10 | ↓ |
Hi High (pH 8-9.5) | 0.80 | 2.47 | -21.03 | 5 | 15 | 0 | 202 | 512.531 | 10 | ↓ |