| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 17 | Yes |
Popular Name: [(1S,2S)-2-aminocyclohexyl]-(4-methyl-1,4-diazepan-1-yl)methanone [(1S,2S)-2-aminocyclohexyl]-(4-m…
| 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) | 0.47 | 5.22 | -91.3 | 4 | 4 | 2 | 52 | 241.379 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 3.2 | -38.91 | 3 | 4 | 1 | 51 | 240.371 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
