| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | No |
Popular Name: (2S)-2-bromo-1-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-1-yl]butan-1-one (2S)-2-bromo-1-[4-[[(2S)-tetrahy…
| 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) | 1.80 | 7.78 | -39.39 | 1 | 4 | 1 | 34 | 334.278 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 5.85 | -6.87 | 0 | 4 | 0 | 33 | 333.27 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
