In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 34 | 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) | 3.34 | 6.32 | -62.97 | 2 | 7 | -1 | 110 | 458.49 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.34 | 5.56 | -17.13 | 3 | 7 | 0 | 107 | 459.498 | 8 | ↓ |