In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2008 | 29 | 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) | 2.98 | 11.31 | -81.04 | 1 | 6 | 0 | 78 | 396.487 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 10.77 | -44.5 | 2 | 6 | 1 | 75 | 397.495 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 11.46 | -54.81 | 1 | 6 | 1 | 72 | 397.495 | 7 | ↓ |