| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 20 | Yes |
Popular Name: (3,4-Dimethoxy-benzyl)-(1-ethyl-pyrrolidin-2-ylmethyl)-amine (3,4-Dimethoxy-benzyl)-(1-ethyl-…
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CAS Number: 726161-90-6
| 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) | 1.94 | 7.76 | -123.74 | 3 | 4 | 2 | 40 | 280.412 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 6.88 | -34.97 | 2 | 4 | 1 | 35 | 279.404 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.