| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 21 | No |
Popular Name: 3-[3-(dimethylamino)propylamino]-4-(2-pyridylmethylamino)cyclobut-3-ene-1,2-dione 3-[3-(dimethylamino)propylamino]…
| 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) | -1.25 | 2.64 | -55.66 | 2 | 6 | 0 | 76 | 289.359 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.25 | 2.59 | -64.15 | 2 | 6 | 0 | 76 | 289.359 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -1.25 | 3.04 | -140.04 | 3 | 6 | 0 | 77 | 290.367 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -1.25 | 3 | -171.97 | 3 | 6 | 0 | 77 | 290.367 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
