In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 36 | 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) | 4.15 | 10.26 | -58.46 | 0 | 8 | -1 | 97 | 496.58 | 13 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 8.57 | -30.5 | 1 | 8 | 0 | 95 | 497.588 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.57 | 9.56 | -26.33 | 0 | 8 | 0 | 91 | 497.588 | 13 | ↓ |