| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 12 | Yes |
Popular Name: N*1*-Methyl-N*1*-(1-methyl-piperidin-4-yl)-ethane-1,2-diamine N*1*-Methyl-N*1*-(1-methyl-piper…
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CAS Number: 900738-64-9
| 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) | -0.43 | 1.24 | -86.96 | 4 | 3 | 2 | 35 | 173.304 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 1.31 | -113.76 | 4 | 3 | 2 | 35 | 173.304 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 0.91 | -32.05 | 3 | 3 | 1 | 34 | 172.296 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.