In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 14 | 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) | 2.22 | 2.66 | -11.44 | 1 | 3 | 0 | 46 | 278.171 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 2.36 | -36.27 | 0 | 3 | -1 | 48 | 277.163 | 3 | ↓ |