In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 14 | Yes |
Popular Name: 1-Methyl-4-(3-methylpyridin-2-yl)piperazine 1-Methyl-4-(3-methylpyridin-2-yl…
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CAS Numbers: 1187386-43-1 , [1187386-43-1]
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) | 1.43 | 7.49 | -84.8 | 2 | 3 | 2 | 22 | 193.294 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 4.66 | -4.93 | 0 | 3 | 0 | 19 | 191.278 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 5.12 | -27.25 | 1 | 3 | 1 | 21 | 192.286 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.43 | 7.02 | -35.08 | 1 | 3 | 1 | 21 | 192.286 | 1 | ↓ |