| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 20 | Yes |
Popular Name: (1S)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2,4-dimethylthiazol-5-yl)ethanamine (1S)-N-(1,3-benzodioxol-4-ylmeth…
| 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) | 2.43 | 5.95 | -43.55 | 2 | 4 | 1 | 48 | 291.396 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 4.74 | -8.89 | 1 | 4 | 0 | 43 | 290.388 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
