| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 18 | Yes |
Popular Name: (3R)-3-phenyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane (3R)-3-phenyl-1-(2,2,2-trifluoro…
| 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) | 2.77 | 5.99 | -40.02 | 2 | 2 | 1 | 20 | 259.295 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 4.98 | -2.76 | 1 | 2 | 0 | 15 | 258.287 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
