In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2010 | 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) | 1.47 | 3.42 | -44.02 | 3 | 3 | 1 | 40 | 235.351 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.47 | 5.33 | -37.91 | 3 | 3 | 1 | 40 | 235.351 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 5.65 | -117.5 | 4 | 3 | 2 | 41 | 236.359 | 4 | ↓ |