| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 28 | No |
Popular Name: 1-(2-methyl-4-quinolyl)-3-[4-nitro-3-(trifluoromethyl)phenyl]urea 1-(2-methyl-4-quinolyl)-3-[4-nit…
| 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) | 4.78 | 8.19 | -40.39 | 3 | 7 | 1 | 105 | 391.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.60 | 8.31 | -16.48 | 2 | 7 | 0 | 100 | 390.321 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.60 | 8.69 | -39.66 | 3 | 7 | 1 | 101 | 391.329 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
