| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 18 | Yes |
Popular Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(1H-pyrazol-4-yl)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) | -1.55 | 0.88 | -54.49 | 4 | 6 | 1 | 80 | 252.342 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.55 | 2.68 | -118.46 | 5 | 6 | 2 | 81 | 253.35 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
