In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2010 | 26 | 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) | 4.24 | 7.87 | -16.56 | 1 | 6 | 0 | 82 | 364.438 | 13 | ↓ |
Hi High (pH 8-9.5) | 4.24 | 8.65 | -65.97 | 0 | 6 | -1 | 85 | 363.43 | 13 | ↓ |