| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 18 | No |
Popular Name: (4S)-N-[(1S)-1-(3-thienyl)ethyl]isothiochroman-4-amine (4S)-N-[(1S)-1-(3-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) | 3.53 | 8.52 | -40.22 | 2 | 1 | 1 | 17 | 276.45 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 8.03 | -3.22 | 1 | 1 | 0 | 12 | 275.442 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
