| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 17 | Yes |
Popular Name: (2S)-N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-ethanamine (2S)-N-methyl-2-(1-methylimidazo…
| 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) | 2.28 | 7.81 | -34.71 | 2 | 3 | 1 | 34 | 248.375 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 6.51 | -6.6 | 1 | 3 | 0 | 30 | 247.367 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.28 | 8.31 | -92.52 | 3 | 3 | 2 | 36 | 249.383 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
