In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2008 | 16 | 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) | 1.56 | 5.37 | -85.25 | 3 | 3 | 2 | 24 | 227.396 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 3.15 | -37.93 | 2 | 3 | 1 | 23 | 226.388 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 1.97 | -1.37 | 1 | 3 | 0 | 19 | 225.38 | 4 | ↓ |