In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2010 | 25 | Yes |
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) | 2.34 | 6.89 | -7.76 | 1 | 5 | 0 | 55 | 342.439 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.34 | 8.18 | -39.86 | 2 | 5 | 1 | 56 | 343.447 | 5 | ↓ |