| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 21 | No |
Popular Name: 3-(p-tolyl)-4-(2-pyrrolidin-1-ylethylamino)cyclobut-3-ene-1,2-dione 3-(p-tolyl)-4-(2-pyrrolidin-1-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) | 1.40 | 7.39 | -40.94 | 1 | 4 | 0 | 51 | 285.367 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 4.91 | -7.29 | 0 | 4 | 0 | 50 | 284.359 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 4.94 | -6.21 | 0 | 4 | 0 | 50 | 284.359 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 7.37 | -53.85 | 1 | 4 | 0 | 51 | 285.367 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
