In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 38 | 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) | 4.04 | 10.91 | -46.44 | 0 | 8 | -1 | 97 | 516.57 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.48 | 9.32 | -32.48 | 1 | 8 | 0 | 95 | 517.578 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 10.31 | -28.32 | 0 | 8 | 0 | 91 | 517.578 | 11 | ↓ |