| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | No |
Popular Name: 3-[(2-methyl-2-morpholino-propyl)amino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione 3-[(2-methyl-2-morpholino-propyl…
| 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) | -0.96 | -1.65 | -6.38 | 0 | 7 | 0 | 65 | 336.436 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.96 | 0.66 | -50.28 | 1 | 7 | 0 | 67 | 337.444 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.96 | -1.7 | -8.69 | 0 | 7 | 0 | 65 | 336.436 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.96 | 0.71 | -47 | 1 | 7 | 0 | 67 | 337.444 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.96 | 2.87 | -101.14 | 2 | 7 | 0 | 68 | 338.452 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.96 | 2.92 | -92.37 | 2 | 7 | 0 | 68 | 338.452 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
