| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 23 | No |
Popular Name: 3-[[(1S)-1-(m-tolyl)ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione 3-[[(1S)-1-(m-tolyl)ethyl]amino]…
| 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) | 1.68 | 5.97 | -61.63 | 2 | 5 | 0 | 73 | 308.361 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 5.44 | -9.14 | 1 | 5 | 0 | 71 | 307.353 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 5.92 | -64.49 | 2 | 5 | 0 | 73 | 308.361 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 5.13 | -16.09 | 1 | 5 | 0 | 75 | 307.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 5.06 | -17.25 | 1 | 5 | 0 | 75 | 307.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 5.51 | -8.4 | 1 | 5 | 0 | 71 | 307.353 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
