| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | No |
Popular Name: (5-amino-3-methyl-1H-pyrazol-4-yl)-(1,4-thiazepan-4-yl)methanone (5-amino-3-methyl-1H-pyrazol-4-y…
None
| 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) | -0.30 | 2.94 | -8.8 | 3 | 5 | 0 | 75 | 240.332 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.30 | 3.06 | -35.46 | 4 | 5 | 1 | 76 | 241.34 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
