| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 23 | No |
Popular Name: 3-[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione 3-[[(1S)-1-(2-hydroxyphenyl)ethy…
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) | 1.20 | 2.71 | -65.43 | 3 | 6 | 0 | 93 | 310.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 2.18 | -9.68 | 2 | 6 | 0 | 92 | 309.325 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 2.66 | -63.27 | 3 | 6 | 0 | 93 | 310.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.70 | 1.87 | -18.91 | 2 | 6 | 0 | 95 | 309.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.70 | 1.8 | -17.64 | 2 | 6 | 0 | 95 | 309.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 2.24 | -10.74 | 2 | 6 | 0 | 92 | 309.325 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
