| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 20 | Yes |
Popular Name: [4-[(1S)-3-amino-1-ethyl-propyl]-1,4-diazepan-1-yl]-(1H-pyrazol-4-yl)methanone [4-[(1S)-3-amino-1-ethyl-propyl]…
| 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) | -0.68 | 2.27 | -55.46 | 4 | 6 | 1 | 80 | 280.396 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.68 | 3.54 | -124.31 | 5 | 6 | 2 | 81 | 281.404 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
