In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2010 | 16 | Yes |
None
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) | 1.62 | 5.46 | -38.89 | 3 | 2 | 1 | 29 | 217.336 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 5.19 | -37.6 | 3 | 2 | 1 | 29 | 217.336 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 6.54 | -106.82 | 4 | 2 | 2 | 33 | 218.344 | 3 | ↓ |