In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 33 | 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) | 5.60 | 18.06 | -20.67 | 1 | 6 | 0 | 72 | 455.949 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.60 | 18.78 | -35.75 | 3 | 6 | 1 | 77 | 456.957 | 6 | ↓ |