| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2011 | 19 | No |
Popular Name: [[(1E)-1-[4-(diethylamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]ethyl]amino]thiourea [[(1E)-1-[4-(diethylamino)-6-oxo…
| 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) | -1.71 | 4.74 | -34.39 | 5 | 5 | 1 | 75 | 281.405 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 6.59 | -20.42 | 4 | 5 | 0 | 70 | 280.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.71 | 4.87 | -31.31 | 4 | 5 | 0 | 74 | 280.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.75 | 4.87 | -36.57 | 5 | 5 | 1 | 73 | 281.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
