| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 24 | Yes |
Popular Name: (3S)-4,4,4-trifluoro-1-(4-isopropyl-1,4-diazepan-1-yl)-3-phenyl-butan-1-one (3S)-4,4,4-trifluoro-1-(4-isopro…
| 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) | 3.76 | 10.93 | -38.46 | 1 | 3 | 1 | 25 | 343.413 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 9.22 | -6.63 | 0 | 3 | 0 | 24 | 342.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
