In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 17 | 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) | -0.56 | 1.86 | -33.31 | 2 | 5 | 1 | 46 | 242.343 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.56 | 3.14 | -110.4 | 3 | 5 | 2 | 51 | 243.351 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.56 | 0.87 | -42.47 | 2 | 5 | 1 | 49 | 242.343 | 2 | ↓ |