| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 19 | Yes |
Popular Name: (2S)-N-allyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine (2S)-N-allyl-2-(4-pyrimidin-2-yl…
| 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) | 1.05 | 6.97 | -41.82 | 2 | 5 | 1 | 49 | 262.381 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 5.67 | -5.35 | 1 | 5 | 0 | 44 | 261.373 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 8.84 | -120.75 | 3 | 5 | 2 | 50 | 263.389 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
