In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 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) | 3.47 | 8.07 | -60.39 | 0 | 8 | -1 | 97 | 468.526 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.92 | 7.78 | -17.62 | 1 | 8 | 0 | 95 | 469.534 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 1.59 | -12.46 | 0 | 8 | 0 | 91 | 469.534 | 11 | ↓ |