In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 10 | Yes |
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) | -0.39 | -1.58 | -42.03 | 7 | 3 | 1 | 80 | 138.194 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.39 | -2.07 | -3.18 | 6 | 3 | 0 | 78 | 137.186 | 1 | ↓ |