In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 28 | 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) | 3.77 | 13.08 | -95.92 | 2 | 4 | 2 | 25 | 406.684 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 10.79 | -36.46 | 1 | 4 | 1 | 24 | 405.676 | 8 | ↓ |