In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 2008 | 18 | 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) | 1.10 | 6.58 | -54.96 | 2 | 7 | -1 | 110 | 248.266 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.10 | 6.84 | -65.36 | 3 | 7 | 0 | 111 | 249.274 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.10 | 2.46 | -65.57 | 3 | 7 | 0 | 111 | 249.274 | 6 | ↓ |