| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 18 | Yes |
Popular Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[4-(2-aminoethyl)-1,4-diazepan…
| 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) | -0.97 | 3.13 | -94.01 | 4 | 5 | 2 | 56 | 256.394 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | 2.74 | -37.89 | 3 | 5 | 1 | 54 | 255.386 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
