| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 20 | No |
Popular Name: 2-{2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione 2-{2-[2-(methylamino)-1,3-thiazo…
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CAS Number: 861211-18-9
| 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) | 2.48 | 5.58 | -12.37 | 1 | 5 | 0 | 64 | 287.344 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | 5.97 | -29.53 | 2 | 5 | 1 | 65 | 288.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
