| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 22 | No |
Popular Name: 3-[[(1S)-1-phenylethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione 3-[[(1S)-1-phenylethyl]amino]-4-…
None
| 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 | 5.32 | -61.21 | 2 | 5 | 0 | 73 | 294.334 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 4.79 | -9.25 | 1 | 5 | 0 | 71 | 293.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 5.26 | -64.3 | 2 | 5 | 0 | 73 | 294.334 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 4.47 | -15.93 | 1 | 5 | 0 | 75 | 293.326 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 4.4 | -17.26 | 1 | 5 | 0 | 75 | 293.326 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 4.84 | -8.34 | 1 | 5 | 0 | 71 | 293.326 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
