| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 25 | Yes |
Popular Name: (2S)-N-allyl-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanamide (2S)-N-allyl-2-[4-[2-[benzyl(met…
| 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) | 1.74 | 5.74 | -42.29 | 2 | 5 | 1 | 40 | 345.511 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 3.4 | -8.28 | 1 | 5 | 0 | 39 | 344.503 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
