| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 22 | No |
Popular Name: 3-[[(1R)-1-cyclohexylethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione 3-[[(1R)-1-cyclohexylethyl]amino…
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| 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) | 1.92 | 5.3 | -61.2 | 2 | 5 | 0 | 73 | 300.382 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 4.77 | -7.97 | 1 | 5 | 0 | 71 | 299.374 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 5.24 | -62.86 | 2 | 5 | 0 | 73 | 300.382 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 4.62 | -14.96 | 1 | 5 | 0 | 75 | 299.374 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 4.55 | -16.41 | 1 | 5 | 0 | 75 | 299.374 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 4.82 | -7.32 | 1 | 5 | 0 | 71 | 299.374 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
