| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 20 | Yes |
Popular Name: (1S)-N-ethyl-1-(2-isoindolin-2-yl-4-methyl-thiazol-5-yl)ethanamine (1S)-N-ethyl-1-(2-isoindolin-2-y…
| 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) | 3.04 | 8.68 | -39.51 | 2 | 3 | 1 | 33 | 288.44 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 7.49 | -6.54 | 1 | 3 | 0 | 28 | 287.432 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
