In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2008 | 29 | 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) | 5.63 | 12.57 | -14.46 | 0 | 6 | 0 | 60 | 479.443 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.63 | 13.01 | -38.77 | 1 | 6 | 1 | 62 | 480.451 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.63 | 13.45 | -73.8 | 2 | 6 | 2 | 63 | 481.459 | 6 | ↓ |