| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2011 | 22 | Yes |
Popular Name: 1-(2-methylsulfanylphenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(2-methylsulfanylphenyl)-3-[(3…
| 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) | 2.91 | 4.45 | -9.34 | 2 | 4 | 0 | 44 | 333.379 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.91 | 6.88 | -47.49 | 3 | 4 | 1 | 46 | 334.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
