In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 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) | 4.74 | 6.67 | -48.16 | 3 | 4 | -1 | 78 | 249.334 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.74 | 6.51 | -37.87 | 4 | 4 | 0 | 80 | 250.342 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.74 | 6.86 | -53.82 | 4 | 4 | 0 | 83 | 250.342 | 7 | ↓ |