| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 19 | Yes |
Popular Name: 1-[4-(3-aminothiophene-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(3-aminothiophene-2-carbony…
| 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) | 1.05 | 4.29 | -11.16 | 2 | 5 | 0 | 67 | 281.381 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 4.18 | -41.27 | 3 | 5 | 1 | 68 | 282.389 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
