| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | Yes |
Popular Name: (1S)-1-[5-(5-methyl-2-thienyl)-1H-imidazol-2-yl]butan-1-amine (1S)-1-[5-(5-methyl-2-thienyl)-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) | 0.64 | 5.18 | -53.86 | 4 | 3 | 1 | 56 | 236.364 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 4.88 | -7.69 | 3 | 3 | 0 | 55 | 235.356 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 4.83 | -5.17 | 3 | 3 | 0 | 55 | 235.356 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | 5.52 | -117.23 | 5 | 3 | 2 | 58 | 237.372 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | 5.49 | -114.54 | 5 | 3 | 2 | 58 | 237.372 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
