| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | Yes |
Popular Name: 2-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(3-methylthiophene-2-carbon…
| 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) | 0.55 | 3.71 | -49.23 | 3 | 5 | 1 | 68 | 282.389 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 2.03 | -13.47 | 2 | 5 | 0 | 67 | 281.381 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
