In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 16 | 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) | 2.65 | 3.92 | -44.61 | 3 | 3 | 1 | 46 | 242.726 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 4.7 | -33.97 | 2 | 3 | 0 | 49 | 241.718 | 7 | ↓ |