| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: (4S)-6-chloro-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1S)-1-methyl-2…
| 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) | 3.22 | 11.14 | -122.92 | 3 | 2 | 2 | 21 | 326.937 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 9.34 | -37.7 | 2 | 2 | 1 | 20 | 325.929 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 10.31 | -38.94 | 2 | 2 | 1 | 16 | 325.929 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
