| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 28 | Yes |
Popular Name: (2S)-2-[4-[2-(diallylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide (2S)-2-[4-[2-(diallylamino)-2-ox…
| 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) | 2.15 | 6.05 | -17.73 | 1 | 6 | 0 | 56 | 388.487 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.15 | 8.31 | -41.14 | 2 | 6 | 1 | 57 | 389.495 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
