In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 28 | 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) | 3.21 | 8.2 | -81.62 | 5 | 6 | 2 | 81 | 399.564 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 7.59 | -73.74 | 5 | 6 | 2 | 77 | 399.564 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.21 | 8.66 | -162.85 | 6 | 6 | 3 | 82 | 400.572 | 5 | ↓ |