| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 20 | No |
Popular Name: 2,6-diamino-4-(4-bromo-5-ethyl-2-thienyl)-4H-thiopyran-3,5-dicarbonitrile 2,6-diamino-4-(4-bromo-5-ethyl-2…
| 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) | 2.46 | 5.48 | -14.09 | 4 | 4 | 0 | 100 | 367.297 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 5.36 | -60.63 | 5 | 4 | 1 | 101 | 368.305 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 5.35 | -59.37 | 5 | 4 | 1 | 101 | 368.305 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
