In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 28 | 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) | 0.22 | 6.25 | -61.07 | 3 | 7 | 1 | 84 | 408.592 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.22 | 6.38 | -102.32 | 4 | 7 | 2 | 85 | 409.6 | 7 | ↓ |