| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | Yes |
Popular Name: (1S)-3-methyl-1-[5-(4-pyridyl)-1H-imidazol-2-yl]butan-1-amine (1S)-3-methyl-1-[5-(4-pyridyl)-1…
| 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) | -0.44 | 3.91 | -54.98 | 4 | 4 | 1 | 69 | 231.323 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 3.59 | -8.47 | 3 | 4 | 0 | 68 | 230.315 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.44 | 4.25 | -126.15 | 5 | 4 | 2 | 70 | 232.331 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
