| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 16 | Yes |
Popular Name: [(1S,3R)-3-aminocyclohexyl]-(4-methylpiperazin-1-yl)methanone [(1S,3R)-3-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) | -0.03 | 1.55 | -47.13 | 3 | 4 | 1 | 51 | 226.344 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 3.9 | -95.98 | 4 | 4 | 2 | 52 | 227.352 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
