In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 17 | Yes |
Popular Name: 2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]aniline 2-methoxy-5-[(4-methylpiperazin-…
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CAS Number: 1041561-44-7
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) | 1.10 | 3.02 | -35.93 | 3 | 4 | 1 | 43 | 236.339 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.10 | 2.95 | -35.83 | 3 | 4 | 1 | 43 | 236.339 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.10 | 0.55 | -4.59 | 2 | 4 | 0 | 42 | 235.331 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |