| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | Yes |
Popular Name: (2R,4S,5R)-1,2,5-trimethyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine (2R,4S,5R)-1,2,5-trimethyl-N-[(1…
| 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) | 3.71 | 10.33 | -105.44 | 3 | 2 | 2 | 21 | 294.508 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 9.54 | -34.55 | 2 | 2 | 1 | 16 | 293.5 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 8.37 | -39.41 | 2 | 2 | 1 | 20 | 293.5 | 4 | ↓ |
