| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 16 | Yes |
Popular Name: (3R,6S)-N,6-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]piperidin-3-amine (3R,6S)-N,6-dimethyl-N-[(1S,2R)-…
| 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) | 2.99 | 6.99 | -105.46 | 3 | 2 | 2 | 21 | 226.408 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 3.69 | -0.64 | 1 | 2 | 0 | 15 | 224.392 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 5.3 | -36.01 | 2 | 2 | 1 | 20 | 225.4 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 5.73 | -30.17 | 2 | 2 | 1 | 16 | 225.4 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
