In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2008 | 13 | 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) | 0.98 | 3.17 | -44.41 | 3 | 3 | 1 | 48 | 187.307 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 2.87 | -8.3 | 2 | 3 | 0 | 46 | 186.299 | 4 | ↓ |