In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 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) | 2.73 | 6.67 | -21.78 | 2 | 6 | 0 | 80 | 398.532 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 7.6 | -36.03 | 3 | 6 | 1 | 81 | 399.54 | 4 | ↓ |