| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | No |
Popular Name: 5-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[[(1S,2S,4S)-2,4-dimethylcyclo…
| 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) | 2.47 | 6.52 | -11.15 | 3 | 4 | 0 | 56 | 280.441 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 6.64 | -39.39 | 4 | 4 | 1 | 57 | 281.449 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
