In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 32 | No |
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) | 0.98 | 6.42 | -54.14 | 0 | 9 | -1 | 110 | 441.46 | 10 | ↓ |
Lo Low (pH 4.5-6) | 0.98 | 5.13 | -23.13 | 1 | 9 | 0 | 107 | 442.468 | 10 | ↓ |