In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 34 | 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) | 2.38 | 4.78 | -26.02 | 4 | 9 | 0 | 142 | 509.65 | 12 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 5.99 | -73.4 | 3 | 9 | -1 | 144 | 508.642 | 12 | ↓ |