| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 17 | Yes |
Popular Name: 5-methyl-2-[[(3S)-3-piperidyl]sulfanyl]-1H-benzimidazole 5-methyl-2-[[(3S)-3-piperidyl]su…
| 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) | 2.60 | 6.34 | -44.54 | 3 | 3 | 1 | 45 | 248.375 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 4.99 | -6.04 | 2 | 3 | 0 | 41 | 247.367 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 6.41 | -91.03 | 4 | 3 | 2 | 47 | 249.383 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
