In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 29 | 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) | 3.18 | 6.3 | -55.81 | 4 | 7 | 1 | 92 | 425.843 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.18 | 4.05 | -22.9 | 3 | 7 | 0 | 91 | 424.835 | 8 | ↓ |