In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 1st, 2008 | 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) | 3.35 | 12.34 | -12.66 | 0 | 5 | 0 | 78 | 412.526 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 12.59 | -116.21 | 0 | 5 | -2 | 89 | 410.51 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 11.26 | -56.07 | 1 | 5 | -1 | 87 | 411.518 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.94 | 12.5 | -49.84 | 0 | 5 | -1 | 84 | 411.518 | 4 | ↓ |