| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2012 | 12 | Yes |
Popular Name: tert-Butyl2-(methylamino)ethylcarbamate tert-Butyl2-(methylamino)ethylca…
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CAS Numbers: 122734-32-1 , 202207-79-2
| 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) | 0.55 | 3.3 | -57.56 | 2 | 4 | 0 | 60 | 174.244 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 1.86 | -47.34 | 1 | 4 | -1 | 55 | 173.236 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.55 | 1.56 | -41.64 | 3 | 4 | 1 | 57 | 175.252 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4812590; US4897423 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.