In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2009 | 19 | Yes |
Popular Name: [(2S)-4-(2-furylmethyl)piperazin-2-yl]-pyrrolidin-1-yl-methanone [(2S)-4-(2-furylmethyl)piperazin…
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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) | 0.39 | 5.29 | -125.62 | 3 | 5 | 2 | 54 | 265.357 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 2.93 | -38.61 | 2 | 5 | 1 | 53 | 264.349 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.39 | 3.94 | -50.71 | 2 | 5 | 1 | 50 | 264.349 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.39 | 1.57 | -9.83 | 1 | 5 | 0 | 49 | 263.341 | 3 | ↓ |