| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: (2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(1-methylpyrazol-4-yl)ethanamine (2R)-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) | 1.54 | 4.86 | -44.99 | 4 | 5 | 1 | 74 | 288.4 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 4.52 | -9.53 | 3 | 5 | 0 | 73 | 287.392 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 5.13 | -104.69 | 5 | 5 | 2 | 75 | 289.408 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
