In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 27 | 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) | 5.46 | -0.79 | -13.18 | 1 | 4 | 0 | 54 | 373.481 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.46 | -0.71 | -40.61 | 2 | 4 | 1 | 56 | 374.489 | 3 | ↓ |