In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2005 | 28 | 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) | 2.37 | -3.74 | -18.62 | 2 | 8 | 0 | 102 | 378.388 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.37 | -2.61 | -86.94 | 4 | 8 | 2 | 104 | 380.404 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.37 | -3.18 | -48.86 | 3 | 8 | 1 | 103 | 379.396 | 6 | ↓ |