| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 5th, 2011 | 21 | No |
Popular Name: [4-(diethylamino)-2-hydroxy-phenyl]-(1,4-thiazepan-4-yl)methanone [4-(diethylamino)-2-hydroxy-phen…
| 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) | 2.88 | 6.77 | -11.37 | 1 | 4 | 0 | 44 | 308.447 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 7.58 | -58.82 | 0 | 4 | -1 | 47 | 307.439 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 7.24 | -29.17 | 2 | 4 | 0 | 45 | 309.455 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
