In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 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) | 2.06 | 5.71 | -8.05 | 1 | 3 | 0 | 38 | 235.29 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.06 | 6.14 | -33.79 | 2 | 3 | 1 | 39 | 236.298 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.06 | 6.6 | -81.69 | 3 | 3 | 2 | 40 | 237.306 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.06 | 6.17 | -40.75 | 2 | 3 | 1 | 39 | 236.298 | 3 | ↓ |