In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2008 | 36 | 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) | 3.15 | 11.62 | -16.55 | 0 | 7 | 0 | 56 | 496.627 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.15 | 12.3 | -90.56 | 1 | 7 | 0 | 58 | 497.635 | 9 | ↓ |