| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | No |
Popular Name: 1-[1,3-dimethyl-5-(1,4-thiazepan-4-yl)pyrazol-4-yl]-N-methyl-methanamine 1-[1,3-dimethyl-5-(1,4-thiazepan…
| 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) | 0.98 | 6.15 | -41.73 | 2 | 4 | 1 | 38 | 255.411 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 5.54 | -4.8 | 1 | 4 | 0 | 33 | 254.403 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
