| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 27 | No |
Popular Name: (3R,5S)-4-[3-(dimethylamino)propyl]-3,5-dimethyl-N-(p-tolylsulfonyl)piperazine-1-carboxamide (3R,5S)-4-[3-(dimethylamino)prop…
| 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) | 1.83 | 4.17 | -77.64 | 1 | 7 | 0 | 80 | 396.557 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 5.66 | -120.02 | 3 | 7 | 2 | 79 | 398.573 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 3.77 | -63.79 | 1 | 7 | 0 | 80 | 396.557 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 3.19 | -54.62 | 2 | 7 | 1 | 78 | 397.565 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
