In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 31 | 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) | 5.20 | 9.48 | -53.15 | 1 | 5 | -1 | 78 | 497.752 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.20 | 8.72 | -12.86 | 2 | 5 | 0 | 76 | 498.76 | 6 | ↓ |