In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 24 | Yes |
Popular Name: 2-[4-[(2S)-3-tert-butoxy-2-hydroxy-propyl]piperazin-1-yl]-1-(1-piperidyl)ethanone 2-[4-[(2S)-3-tert-butoxy-2-hydro…
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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) | 1.02 | 1.95 | -9.81 | 1 | 6 | 0 | 56 | 341.496 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.02 | 4.26 | -39.38 | 2 | 6 | 1 | 57 | 342.504 | 7 | ↓ |