| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 17 | No |
Popular Name: 2-[(2,5-dimethylpyrazol-3-yl)amino]pyridine-4-carbothioamide 2-[(2,5-dimethylpyrazol-3-yl)ami…
| 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) | 1.58 | 5.43 | -41.45 | 4 | 5 | 1 | 70 | 248.335 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 5.32 | -21.15 | 3 | 5 | 0 | 69 | 247.327 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 5.5 | -104.44 | 5 | 5 | 2 | 71 | 249.343 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 4.75 | -53.95 | 4 | 5 | 1 | 70 | 248.335 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
