In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 24 | No |
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) | 1.73 | -0.27 | -42.14 | 3 | 7 | -1 | 118 | 342.356 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.27 | 1.66 | -13.86 | 4 | 7 | 0 | 115 | 343.364 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.27 | 1.14 | -19.49 | 4 | 7 | 0 | 115 | 343.364 | 3 | ↓ |