In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2010 | 44 | 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) | 0.75 | -4.23 | -24.81 | 7 | 15 | 0 | 239 | 620.56 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.75 | -3.46 | -61.17 | 6 | 15 | -1 | 242 | 619.552 | 7 | ↓ |