In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 28 | 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) | 0.92 | 3.83 | -65.95 | 1 | 8 | -1 | 112 | 386.38 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 2.94 | -19.35 | 2 | 8 | 0 | 109 | 387.388 | 8 | ↓ |