| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (2S,4S,5R)-N-[(4R)-chroman-4-yl]-1,2,5-trimethyl-piperidin-4-amine (2S,4S,5R)-N-[(4R)-chroman-4-yl]…
| 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) | 2.14 | 7.75 | -105.5 | 3 | 3 | 2 | 30 | 276.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 7.63 | -35.2 | 2 | 3 | 1 | 26 | 275.416 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 5.5 | -36.32 | 2 | 3 | 1 | 29 | 275.416 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
