In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 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) | 2.72 | 4.34 | -62.15 | 2 | 7 | -1 | 110 | 424.473 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.72 | 3.59 | -17 | 3 | 7 | 0 | 107 | 425.481 | 9 | ↓ |