| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: (1S)-1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chloro-phenyl]ethanamine (1S)-1-[4-(1,3-benzothiazol-2-yl…
| 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) | 3.10 | 7.51 | -55.13 | 3 | 2 | 1 | 41 | 321.878 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 7.2 | -7.46 | 2 | 2 | 0 | 39 | 320.87 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
