| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(1-methylpyrazol-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) | -1.48 | 3.99 | -119.17 | 4 | 6 | 2 | 70 | 267.377 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.48 | 3.61 | -45.73 | 3 | 6 | 1 | 69 | 266.369 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.48 | 2.18 | -55.37 | 3 | 6 | 1 | 69 | 266.369 | 4 | ↓ |
