| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 15 | Yes |
Popular Name: 2-Azepan-1-yl-2-thiophen-2-yl-ethylamine 2-Azepan-1-yl-2-thiophen-2-yl-et…
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CAS Number: 889939-37-1
| 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) | 2.04 | 4.75 | -39.18 | 3 | 2 | 1 | 31 | 225.381 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 3.65 | -1.77 | 2 | 2 | 0 | 29 | 224.373 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 5.8 | -27.53 | 3 | 2 | 1 | 30 | 225.381 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
