In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 18th, 2006 | 26 | 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) | 1.96 | 6.84 | -61.65 | 0 | 6 | -1 | 83 | 358.345 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 5.79 | -27.42 | 1 | 6 | 0 | 80 | 359.353 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.37 | 6.78 | -16.22 | 0 | 6 | 0 | 77 | 359.353 | 6 | ↓ |