In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 14 | 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) | 2.26 | 5.75 | -103.97 | 4 | 2 | 2 | 32 | 200.37 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 5.37 | -31.22 | 3 | 2 | 1 | 30 | 199.362 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 3.65 | -44.07 | 3 | 2 | 1 | 31 | 199.362 | 7 | ↓ |