In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2011 | 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) | 5.27 | 9.92 | -61.22 | 2 | 4 | 1 | 47 | 431.943 | 1 | ↓ |
Hi High (pH 8-9.5) | 5.27 | 7.61 | -11.6 | 1 | 4 | 0 | 46 | 430.935 | 1 | ↓ |