| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 20 | Yes |
Popular Name: 2-[4-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanamine 2-[4-[[1-[(1R)-1-methylpropyl]py…
| 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) | 0.64 | 2.51 | -46.09 | 3 | 5 | 1 | 52 | 280.44 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 4.59 | -115.61 | 4 | 5 | 2 | 53 | 281.448 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 4.61 | -90.43 | 4 | 5 | 2 | 53 | 281.448 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 4.2 | -33.49 | 3 | 5 | 1 | 52 | 280.44 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
