In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2009 | 30 | 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) | 0.51 | 5.98 | -61.73 | 2 | 7 | -1 | 101 | 428.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.51 | 6.22 | -89.39 | 3 | 7 | 0 | 102 | 429.37 | 5 | ↓ |
Mid Mid (pH 6-8) | -2.23 | 5.02 | -26.57 | 3 | 7 | 0 | 104 | 429.37 | 4 | ↓ |