In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2007 | 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) | 5.19 | 12.98 | -49.66 | 2 | 4 | 1 | 46 | 455.047 | 8 | ↓ |
Lo Low (pH 4.5-6) | 5.19 | 13.22 | -87.67 | 3 | 4 | 2 | 48 | 456.055 | 8 | ↓ |