| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 20 | Yes |
Popular Name: (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-2-phenyl-ethanamine (2S)-2-(1,3-benzothiazol-2-ylsul…
| 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) | 4.46 | 8.93 | -37.94 | 2 | 2 | 1 | 29 | 301.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 7.54 | -6.54 | 1 | 2 | 0 | 25 | 300.452 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
