| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: (2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(2-pyridyl)ethanamine (2S)-2-[(5-methyl-1H-benzimidazo…
| 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) | 1.99 | 5.29 | -37.51 | 4 | 4 | 1 | 69 | 285.396 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 4.33 | -8.69 | 3 | 4 | 0 | 68 | 284.388 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.99 | 5 | -97.91 | 5 | 4 | 2 | 70 | 286.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
