| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 19 | Yes |
Popular Name: N-[[4-(isoindolin-2-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(isoindolin-2-ylmethyl)thi…
| 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) | 1.56 | 7.84 | -93.65 | 3 | 3 | 2 | 34 | 275.421 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 3.87 | -6.13 | 1 | 3 | 0 | 28 | 273.405 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 6.48 | -36.1 | 2 | 3 | 1 | 29 | 274.413 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
