| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 23 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(4S)-thiochroman-4-yl]amino]ethanol (1S)-1-(1,3-benzodioxol-5-yl)-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) | 2.00 | 4.71 | -8.44 | 2 | 4 | 0 | 51 | 329.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 5.94 | -54.21 | 3 | 4 | 1 | 55 | 330.429 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
