In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 33 | 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) | 4.35 | 11.24 | -38.65 | 0 | 6 | -1 | 79 | 454.518 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.80 | 9.94 | -26.99 | 1 | 6 | 0 | 76 | 455.526 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.77 | 11.21 | -19.45 | 0 | 6 | 0 | 73 | 455.526 | 10 | ↓ |