| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2010 | 23 | Yes |
Popular Name: 3,4-dimethyl-N-[6-(2-methylimidazol-1-yl)-3-pyridyl]benzamide 3,4-dimethyl-N-[6-(2-methylimida…
| 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) | 2.77 | 9.87 | -13.16 | 1 | 5 | 0 | 60 | 306.369 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 10.34 | -33.18 | 2 | 5 | 1 | 61 | 307.377 | 3 | ↓ |
| 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) | 2.67 | 9.44 | -8.91 | 1 | 4 | 0 | 43 | 264.332 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 10 | -29.82 | 2 | 4 | 1 | 44 | 265.34 | 4 | ↓ |
| 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) | 2.64 | 9.43 | -8.92 | 1 | 4 | 0 | 43 | 264.332 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.64 | 9.99 | -29.74 | 2 | 4 | 1 | 44 | 265.34 | 4 | ↓ |
