In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 28 | Yes |
None
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 | 1.11 | -52.96 | 1 | 8 | -1 | 108 | 386.338 | 4 | ↓ |
Ref Reference (pH 7) | 2.54 | 3.86 | -48.09 | 1 | 8 | -1 | 105 | 386.338 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.26 | 3 | -13.61 | 2 | 8 | 0 | 105 | 387.346 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.08 | 5.68 | -13.15 | 2 | 8 | 0 | 102 | 387.346 | 4 | ↓ |