| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 21 | Yes |
Popular Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(2-methoxy-3-pyridyl)methanone [4-(3-aminopropyl)-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) | -0.75 | 1.9 | -54.79 | 3 | 6 | 1 | 73 | 293.391 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.75 | 3.36 | -116.18 | 4 | 6 | 2 | 75 | 294.399 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
