| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 17 | Yes |
Popular Name: MFCD06800615 MFCD06800615
Find On: PubMed — Wikipedia — Google
CAS Numbers: 883527-14-8 , 915921-74-3
DIMETHYLMETHYLINDOLYLMETHYLETHANEDIAMIN
N,N-Dimethyl-N'-[(1-methyl-1H-indol-2-yl)-methyl]ethane-1,2-diamine
| 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) | 2.06 | 6.71 | -38.79 | 2 | 3 | 1 | 21 | 232.351 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 4.24 | -4.7 | 1 | 3 | 0 | 20 | 231.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 5.62 | -44.45 | 2 | 3 | 1 | 25 | 232.351 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 8.07 | -121.34 | 3 | 3 | 2 | 26 | 233.359 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.