| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 20 | Yes |
Popular Name: (2S,4S,5R)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4S,5R)-N-[(1S)-2-(4-fluoroph…
| 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) | 3.62 | 10.19 | -101.08 | 3 | 2 | 2 | 21 | 280.431 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 9.52 | -31.79 | 2 | 2 | 1 | 16 | 279.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 7.9 | -37.71 | 2 | 2 | 1 | 20 | 279.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
