In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 15 | Yes |
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) | 0.85 | 1.69 | -12.79 | 3 | 4 | 0 | 67 | 208.261 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.85 | 2.15 | -44.41 | 2 | 4 | -1 | 69 | 207.253 | 3 | ↓ |