In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 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) | 1.63 | 4.32 | -75.8 | 4 | 4 | 2 | 46 | 272.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.63 | 3.89 | -45.4 | 3 | 4 | 1 | 45 | 271.388 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.63 | 6.58 | -174.39 | 5 | 4 | 3 | 47 | 273.404 | 5 | ↓ |