In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 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) | 1.28 | 7.78 | -145.32 | 0 | 5 | -2 | 85 | 217.18 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.28 | 5.73 | -59.78 | 1 | 5 | -1 | 82 | 218.188 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.28 | 5.81 | -67.15 | 1 | 5 | -1 | 82 | 218.188 | 2 | ↓ |