| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 21 | Yes |
Popular Name: (1R,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-pyridyl)propan-2-amine (1R,2S)-1-[(5-methyl-1H-benzimid…
| 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) | 2.39 | 6.32 | -37.83 | 4 | 4 | 1 | 69 | 299.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 5.97 | -8.16 | 3 | 4 | 0 | 68 | 298.415 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 6.43 | -94.74 | 5 | 4 | 2 | 70 | 300.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
