In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 12 | 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) | -0.68 | -2.03 | -39.75 | 4 | 4 | 1 | 66 | 171.22 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.68 | -3.33 | -10.98 | 3 | 4 | 0 | 61 | 170.212 | 3 | ↓ |