| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 21 | Yes |
Popular Name: (1S,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)propan-2-amine (1S,2R)-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) | 1.94 | 5.39 | -47.15 | 4 | 5 | 1 | 74 | 302.427 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 5.07 | -8.5 | 3 | 5 | 0 | 73 | 301.419 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 5.67 | -97.79 | 5 | 5 | 2 | 75 | 303.435 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
