| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 20 | Yes |
Popular Name: (3S)-4-[(4-aminocyclohexyl)methyl]-3-butyl-1-methyl-piperazin-2-one (3S)-4-[(4-aminocyclohexyl)methy…
| 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) | 1.66 | 6.18 | -104.31 | 4 | 4 | 2 | 52 | 283.46 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 5.11 | -50.27 | 3 | 4 | 1 | 51 | 282.452 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
