In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2008 | 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) | 5.33 | 12.52 | -19.46 | 1 | 7 | 0 | 86 | 453.593 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.51 | 11.46 | -50.37 | 0 | 7 | -1 | 92 | 452.585 | 6 | ↓ |