In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2005 | 14 | 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) | 3.79 | 0.82 | -4.39 | 0 | 1 | 0 | 9 | 210.342 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.79 | -0.14 | -45.48 | 0 | 1 | -1 | 9 | 209.334 | 6 | ↓ |