| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2011 | 22 | No |
Popular Name: (1E)-4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidothioic (1E)-4-(2-hydroxyethyl)-N-[3-(tr…
| 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) | -1.82 | 6.38 | -48.9 | 3 | 4 | 1 | 40 | 334.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 5.97 | -46.85 | 2 | 4 | 0 | 40 | 333.379 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.82 | 4.09 | -13.22 | 2 | 4 | 0 | 38 | 333.379 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 3.66 | -41.7 | 1 | 4 | -1 | 39 | 332.371 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
