In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 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) | 0.97 | 3.23 | -37.56 | 3 | 3 | 1 | 46 | 183.275 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.97 | 1.9 | -8 | 2 | 3 | 0 | 41 | 182.267 | 3 | ↓ |