| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: (1S)-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)-N-methyl-ethanamine (1S)-1-(2-isoindolin-2-yl-4-meth…
| 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) | 2.66 | 7.87 | -40.7 | 2 | 3 | 1 | 33 | 274.413 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 6.55 | -5.9 | 1 | 3 | 0 | 28 | 273.405 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
