| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: [1-(aminomethyl)cyclohexyl]-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone [1-(aminomethyl)cyclohexyl]-[4-[…
| 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) | 1.56 | 3.89 | -48.71 | 3 | 4 | 1 | 51 | 282.452 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 3.56 | -7.2 | 2 | 4 | 0 | 50 | 281.444 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 5.74 | -106.22 | 4 | 4 | 2 | 52 | 283.46 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
