In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 36 | No |
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) | 5.58 | 16.84 | -89.84 | 2 | 7 | 2 | 66 | 529.468 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.58 | 15.82 | -13.36 | 0 | 7 | 0 | 63 | 527.452 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.58 | 16.33 | -40.25 | 1 | 7 | 1 | 65 | 528.46 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.58 | 16.33 | -50.33 | 1 | 7 | 1 | 65 | 528.46 | 10 | ↓ |