| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 22 | Yes |
Popular Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-[isopropyl(methyl)amino]ethanone 1-[(2S)-2-(1,3-benzothiazol-2-yl…
None
| 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) | 2.52 | 8.76 | -37.18 | 1 | 4 | 1 | 38 | 318.466 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 6.31 | -13.34 | 0 | 4 | 0 | 36 | 317.458 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
