In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 37 | 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) | 4.34 | 14.12 | -23.77 | 3 | 8 | 0 | 112 | 497.599 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.34 | 14.57 | -40.07 | 4 | 8 | 1 | 113 | 498.607 | 8 | ↓ |