In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 17 | 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) | 3.56 | 5.13 | -47.8 | 4 | 2 | 1 | 48 | 240.411 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 4.85 | -1.38 | 3 | 2 | 0 | 46 | 239.403 | 4 | ↓ |