In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | 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) | 2.13 | 5.25 | -52.01 | 4 | 4 | 1 | 70 | 272.372 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.13 | 5.61 | -85.73 | 5 | 4 | 2 | 71 | 273.38 | 6 | ↓ |