In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2009 | 19 | 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) | 2.56 | 6.74 | -13.24 | 1 | 4 | 0 | 59 | 274.345 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 5.68 | -35.01 | 0 | 4 | -1 | 65 | 273.337 | 4 | ↓ |