In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 20 | 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) | 1.69 | 4.57 | -35.02 | 2 | 4 | 1 | 37 | 277.388 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.69 | 2.36 | -5.76 | 1 | 4 | 0 | 36 | 276.38 | 3 | ↓ |