| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | Yes |
Popular Name: (1S)-3-methyl-1-[5-(2-thienyl)-1H-imidazol-2-yl]butan-1-amine (1S)-3-methyl-1-[5-(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) | 0.63 | 4.86 | -54.06 | 4 | 3 | 1 | 56 | 236.364 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.63 | 4.52 | -7.1 | 3 | 3 | 0 | 55 | 235.356 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.63 | 4.5 | -5.04 | 3 | 3 | 0 | 55 | 235.356 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.63 | 5.18 | -118.25 | 5 | 3 | 2 | 58 | 237.372 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.63 | 5.15 | -115.21 | 5 | 3 | 2 | 58 | 237.372 | 4 | ↓ |
