In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 26 | 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) | 1.75 | 6.97 | -44.16 | 2 | 6 | 1 | 55 | 376.912 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 5.37 | -33.07 | 2 | 6 | 1 | 55 | 376.912 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 6.99 | -45.18 | 2 | 6 | 1 | 55 | 376.912 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 4.75 | -12.59 | 1 | 6 | 0 | 53 | 375.904 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.75 | 7.6 | -90.01 | 3 | 6 | 2 | 56 | 377.92 | 5 | ↓ |