In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 17 | Yes |
Popular Name: n-methyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine n-methyl-2-(4-methylpiperazin-1-…
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CAS Number: 885950-68-5
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) | 1.67 | 4.67 | -92.79 | 4 | 3 | 2 | 35 | 235.375 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 2.3 | -40.24 | 3 | 3 | 1 | 34 | 234.367 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 5.32 | -32.12 | 3 | 3 | 1 | 34 | 234.367 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 2.94 | -2.48 | 2 | 3 | 0 | 32 | 233.359 | 3 | ↓ |