In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 34 | 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) | 4.20 | 10.03 | -61.72 | 0 | 7 | -1 | 88 | 466.554 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.64 | 8.33 | -24.54 | 1 | 7 | 0 | 85 | 467.562 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.61 | 10.01 | -18.79 | 0 | 7 | 0 | 82 | 467.562 | 11 | ↓ |