| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (2S)-1-(4-bromophenyl)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]propan-1-one (2S)-1-(4-bromophenyl)-2-[4-[(1S…
| 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) | 3.73 | 8.5 | -34.7 | 1 | 3 | 1 | 25 | 354.312 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 6.58 | -5.35 | 0 | 3 | 0 | 24 | 353.304 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
