| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 23 | No |
Popular Name: 3-[methyl(4-pyridyl)amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione 3-[methyl(4-pyridyl)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) | 0.83 | 6.64 | -63 | 1 | 5 | 0 | 64 | 308.361 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 6.17 | -7.83 | 0 | 5 | 0 | 63 | 307.353 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 6.09 | -8.46 | 0 | 5 | 0 | 63 | 307.353 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 6.57 | -67.67 | 1 | 5 | 0 | 64 | 308.361 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
