| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(2-methoxy-3-pyridyl)methanone [4-(2-aminoethyl)-1,4-diazepan-1…
| 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) | -1.02 | 1.14 | -54.21 | 3 | 6 | 1 | 73 | 279.364 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.02 | 2.59 | -125.45 | 4 | 6 | 2 | 75 | 280.372 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
