In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 31 | 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) | 2.27 | 4.47 | -117.65 | 6 | 7 | 1 | 119 | 467.011 | 13 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 3.11 | -74.12 | 5 | 7 | 0 | 114 | 466.003 | 13 | ↓ |