| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2010 | 26 | Yes |
Popular Name: 2-(dimethylamino)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone 2-(dimethylamino)-1-[4-[[4-(pyrr…
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| 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) | 0.35 | 7.35 | -48.51 | 1 | 6 | 1 | 48 | 359.494 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.35 | 4.97 | -16.07 | 0 | 6 | 0 | 47 | 358.486 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.35 | 9.57 | -114.47 | 2 | 6 | 2 | 49 | 360.502 | 5 | ↓ |
