| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | No |
Popular Name: (2S)-2-bromo-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]butan-1-one (2S)-2-bromo-1-[4-(2-thienylmeth…
| 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) | 2.73 | 7.55 | -6.64 | 0 | 3 | 0 | 24 | 345.306 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 9.45 | -42.82 | 1 | 3 | 1 | 25 | 346.314 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
