| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 25 | No |
Popular Name: 1-phenyl-3-[1-[3-(trifluoromethyl)phenyl]-2-pyrazolin-3-yl]thiourea 1-phenyl-3-[1-[3-(trifluoromethy…
| 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) | 3.98 | 11.26 | -20.62 | 2 | 4 | 0 | 40 | 364.396 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.66 | 11.36 | -52.89 | 1 | 4 | -1 | 40 | 363.388 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.66 | 11.19 | -42.84 | 1 | 4 | -1 | 40 | 363.388 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.66 | 10.88 | -50.42 | 1 | 4 | -1 | 40 | 363.388 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.66 | 10.9 | -47.08 | 1 | 4 | -1 | 40 | 363.388 | 5 | ↓ |
