| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: (1S)-1-[3-bromo-4-(4-isobutylpiperazin-1-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(4-isobutylpip…
| 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) | 1.66 | 8.94 | -90.1 | 4 | 3 | 2 | 35 | 342.325 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 7.02 | -46.43 | 3 | 3 | 1 | 34 | 341.317 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
