| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (1S,2S,4R)-4-methyl-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cyclohexanamine (1S,2S,4R)-4-methyl-2-[[4-[(1R)-…
| 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) | 2.10 | 6.33 | -88.65 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 4.39 | -41.97 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
