| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2010 | 20 | Yes |
Popular Name: (S)-methyl 4-((3-isopropylpiperazin-1-yl)methyl) benzoate (S)-methyl 4-((3-isopropylpipera…
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CAS Number: 1217612-15-1
| 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) | 2.67 | 6.35 | -40.97 | 2 | 4 | 1 | 46 | 277.388 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | 8.62 | -127.64 | 3 | 4 | 2 | 47 | 278.396 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | 5.25 | -5.35 | 1 | 4 | 0 | 42 | 276.38 | 5 | ↓ |
