In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 38 | 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) | 8.35 | 15.41 | -155.71 | 7 | 4 | 3 | 70 | 517.826 | 10 | ↓ |
Hi High (pH 8-9.5) | 8.35 | 14.39 | -73.99 | 6 | 4 | 2 | 66 | 516.818 | 10 | ↓ |
Mid Mid (pH 6-8) | 8.35 | 15.18 | -71.52 | 6 | 4 | 2 | 69 | 516.818 | 10 | ↓ |