In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 24 | 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) | 2.36 | 3.32 | -50.6 | 0 | 6 | -1 | 87 | 322.344 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 4.31 | -55.51 | 1 | 6 | 0 | 89 | 323.352 | 2 | ↓ |