| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 21 | Yes |
Popular Name: N-[2-(5-Methoxy-3H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)amine N-[2-(5-Methoxy-3H-indol-3-yl)et…
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CAS Numbers: , 1089343-45-2
| 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) | 1.91 | 6.26 | -58.54 | 2 | 4 | 1 | 51 | 282.367 | 6 | ↓ |
| Ref Reference (pH 7) | 1.91 | 6.26 | -58.69 | 2 | 4 | 1 | 51 | 282.367 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 4.9 | -10.71 | 1 | 4 | 0 | 47 | 281.359 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 4.9 | -10.97 | 1 | 4 | 0 | 47 | 281.359 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 6.69 | -121.83 | 3 | 4 | 2 | 53 | 283.375 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 6.69 | -122.43 | 3 | 4 | 2 | 53 | 283.375 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
