| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 28 | Yes |
Popular Name: (2S)-N-(3-fluorophenyl)-2-[4-[2-(hexylamino)-2-oxo-ethyl]piperazin-1-yl]propanamide (2S)-N-(3-fluorophenyl)-2-[4-[2-…
None
None
| 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) | 3.56 | 4.96 | -17.45 | 2 | 6 | 0 | 65 | 392.519 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | 7.23 | -42.08 | 3 | 6 | 1 | 66 | 393.527 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
