In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 32 | 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) | 2.76 | 9.26 | -16.09 | 1 | 8 | 0 | 85 | 470.624 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 8.19 | -47.62 | 0 | 8 | -1 | 92 | 469.616 | 9 | ↓ |