| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 16 | Yes |
Popular Name: 1-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(2,2,2-trifluoroethyl)-2,3,4,5…
| 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) | 2.34 | 5.75 | -37.3 | 2 | 2 | 1 | 20 | 231.241 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 4.48 | -4.71 | 1 | 2 | 0 | 15 | 230.233 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
