| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 20 | Yes |
Popular Name: [1-(aminomethyl)cyclohexyl]-(4-isobutylpiperazin-1-yl)methanone [1-(aminomethyl)cyclohexyl]-(4-i…
| 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) | 1.47 | 6.12 | -107.29 | 4 | 4 | 2 | 52 | 283.46 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 3.81 | -7.27 | 2 | 4 | 0 | 50 | 281.444 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 4.14 | -49.05 | 3 | 4 | 1 | 51 | 282.452 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
