| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 18 | No |
Popular Name: (4S)-N-[(1S)-1-(2-thienyl)ethyl]isothiochroman-4-amine (4S)-N-[(1S)-1-(2-thienyl)ethyl]…
| 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) | 3.85 | 8.61 | -36.33 | 2 | 1 | 1 | 17 | 276.45 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.85 | 8.19 | -3.52 | 1 | 1 | 0 | 12 | 275.442 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
