In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 11 | 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 | -0.25 | -100.33 | 6 | 4 | 2 | 70 | 154.217 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.56 | -0.98 | -46.6 | 5 | 4 | 1 | 68 | 153.209 | 1 | ↓ |
Lo Low (pH 4.5-6) | -0.56 | 0.83 | -92.03 | 6 | 4 | 2 | 73 | 154.217 | 1 | ↓ |