| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 21 | No |
Popular Name: 3-(4-pyridylamino)-4-[[(1S)-1-thiazol-2-ylethyl]amino]cyclobut-3-ene-1,2-dione 3-(4-pyridylamino)-4-[[(1S)-1-th…
| 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) | -0.08 | 2.28 | -58.97 | 2 | 6 | 0 | 86 | 301.351 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 1.75 | -12.58 | 1 | 6 | 0 | 84 | 300.343 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 2.22 | -67.77 | 2 | 6 | 0 | 86 | 301.351 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | 1.43 | -17.47 | 1 | 6 | 0 | 88 | 300.343 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | 1.37 | -20.52 | 1 | 6 | 0 | 88 | 300.343 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 1.8 | -10.46 | 1 | 6 | 0 | 84 | 300.343 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
