| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | No |
Popular Name: (4S)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]isothiochroman-4-amine (4S)-N-[(1S,2R,4R)-2,4-dimethylc…
| 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) | 4.14 | 10.57 | -34.56 | 2 | 1 | 1 | 17 | 276.469 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 9.56 | -2.09 | 1 | 1 | 0 | 12 | 275.461 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
