| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 23 | No |
Popular Name: 3-[[(1R)-1-(3-aminophenyl)ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione 3-[[(1R)-1-(3-aminophenyl)ethyl]…
| 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) | 0.31 | 3.18 | -63.06 | 4 | 6 | 0 | 99 | 309.349 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 2.64 | -9.68 | 3 | 6 | 0 | 97 | 308.341 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 3.12 | -65.14 | 4 | 6 | 0 | 99 | 309.349 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 2.33 | -16.36 | 3 | 6 | 0 | 101 | 308.341 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 2.26 | -19.11 | 3 | 6 | 0 | 101 | 308.341 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 2.7 | -9.08 | 3 | 6 | 0 | 97 | 308.341 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
