| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: (1S)-1-[3-bromo-4-[4-(2-dimethylaminoethyl)piperazin-1-yl]phenyl]ethanamine (1S)-1-[3-bromo-4-[4-(2-dimethyl…
| 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) | 0.56 | 6.57 | -88.52 | 4 | 4 | 2 | 39 | 357.34 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.56 | 4.09 | -47.26 | 3 | 4 | 1 | 37 | 356.332 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
