| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 13 | Yes |
Popular Name: 2-(1-pyrrolidinylmethyl)-1,4-oxazepane 2-(1-pyrrolidinylmethyl)-1,4-oxa…
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CAS Number: 933720-55-9
| 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) | 0.28 | 2.09 | -39.24 | 2 | 3 | 1 | 29 | 185.291 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | 0.9 | -2.93 | 1 | 3 | 0 | 24 | 184.283 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 4.57 | -95.73 | 3 | 3 | 2 | 30 | 186.299 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 3.38 | -29.21 | 2 | 3 | 1 | 26 | 185.291 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
