| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S,4R)-3-(4,4-diethyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3S,4R)-3-(4,4-diethyl-1-piperid…
| 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) | 3.33 | 6.57 | -33.44 | 2 | 3 | 1 | 26 | 283.48 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 5.81 | -35.73 | 2 | 3 | 1 | 29 | 283.48 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 4.7 | -0.8 | 1 | 3 | 0 | 24 | 282.472 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 7.75 | -117.79 | 3 | 3 | 2 | 30 | 284.488 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
