In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 10th, 2007 | 24 | 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) | 2.39 | 8.4 | -11.73 | 2 | 5 | 0 | 72 | 338.436 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | -2.68 | -37.43 | 3 | 5 | 1 | 73 | 339.444 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | -2.71 | -41.5 | 3 | 5 | 1 | 73 | 339.444 | 2 | ↓ |