In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 17 | 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) | -0.22 | 1.7 | -12.28 | 3 | 5 | 0 | 81 | 228.255 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.22 | 2.14 | -39.16 | 4 | 5 | 1 | 82 | 229.263 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.22 | 2.05 | -42.07 | 4 | 5 | 1 | 82 | 229.263 | 4 | ↓ |