In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 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) | 4.88 | 8.56 | -15.28 | 3 | 8 | 0 | 105 | 453.568 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.06 | 6.79 | -45.96 | 2 | 8 | -1 | 112 | 452.56 | 7 | ↓ |