| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 21 | Yes |
Popular Name: 2-[4-(4-ethyl-5-methyl-thiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(4-ethyl-5-methyl-thiophene…
| 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) | 1.23 | 5.16 | -50.16 | 3 | 5 | 1 | 68 | 310.443 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 3.48 | -14.3 | 2 | 5 | 0 | 67 | 309.435 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
