| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 16 | Yes |
Popular Name: 5-methyl-2-[(3S)-pyrrolidin-3-yl]sulfanyl-1H-benzimidazole 5-methyl-2-[(3S)-pyrrolidin-3-yl…
| 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) | 2.68 | 5.51 | -44.4 | 3 | 3 | 1 | 45 | 234.348 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 4.03 | -6.47 | 2 | 3 | 0 | 41 | 233.34 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.68 | 5.93 | -89.26 | 4 | 3 | 2 | 47 | 235.356 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
