In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 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) | 6.47 | 18.13 | -12.12 | 1 | 5 | 0 | 59 | 452.602 | 6 | ↓ |
Lo Low (pH 4.5-6) | 6.47 | 18.56 | -28.2 | 2 | 5 | 1 | 61 | 453.61 | 6 | ↓ |