| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 25th, 2008 | 13 | Yes |
Popular Name: 3-(4-methyl-1,4-diazepan-1-yl)propanoic acid 3-(4-methyl-1,4-diazepan-1-yl)pr…
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CAS Numbers: 915923-47-6 , [915923-47-6]
| 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) | 0.02 | 4.13 | -41.02 | 1 | 4 | 0 | 48 | 186.255 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 2.16 | -44.34 | 0 | 4 | -1 | 47 | 185.247 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
