In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 20 | No |
Popular Name: 3-(4-chlorophenyl)-4-(3-pyridylamino)cyclobut-3-ene-1,2-dione 3-(4-chlorophenyl)-4-(3-pyridyla…
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) | 1.82 | 6.17 | -10.57 | 0 | 4 | 0 | 59 | 284.702 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.82 | 6.08 | -7.77 | 0 | 4 | 0 | 59 | 284.702 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.