In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 25 | No |
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) | 2.04 | 2.71 | -12.37 | 3 | 8 | 0 | 117 | 345.355 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.04 | 3.37 | -38.09 | 4 | 8 | 1 | 122 | 346.363 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.04 | 3.34 | -37.71 | 4 | 8 | 1 | 122 | 346.363 | 3 | ↓ |