| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 20 | No |
Popular Name: N-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-1,1-dioxo-thian-4-amine N-[[1-(1-ethylpropyl)pyrazol-3-y…
| 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) | 1.72 | 4.34 | -56.46 | 2 | 5 | 1 | 69 | 300.448 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 2.9 | -15.36 | 1 | 5 | 0 | 64 | 299.44 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
