| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 14 | Yes |
Popular Name: (2S)-2-[(4-fluorophenyl)methyl]piperazine (2S)-2-[(4-fluorophenyl)methyl]p…
Find On: PubMed — Wikipedia — Google
CAS Number: 910444-93-8
| 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) | 1.35 | 3.5 | -43.88 | 3 | 2 | 1 | 29 | 195.261 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 2.15 | -3.51 | 2 | 2 | 0 | 24 | 194.253 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 3.27 | -39.96 | 3 | 2 | 1 | 29 | 195.261 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.35 | 4.63 | -124.94 | 4 | 2 | 2 | 33 | 196.269 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
