| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 14 | Yes |
Popular Name: 1-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone 1-cyclopropyl-2-(4-methyl-1,4-di…
| 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) | 0.54 | 5.14 | -34.94 | 1 | 3 | 1 | 25 | 197.302 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 3.23 | -6.36 | 0 | 3 | 0 | 24 | 196.294 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.54 | 5.72 | -33.11 | 1 | 3 | 1 | 25 | 197.302 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
