In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2010 | 24 | Yes |
Popular Name: (2R)-1-tert-butoxy-3-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]propan-2-ol (2R)-1-tert-butoxy-3-[4-[(1S)-1-…
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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) | 3.35 | 6.19 | -35.18 | 2 | 4 | 1 | 37 | 355.93 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.35 | 6.69 | -40.12 | 2 | 4 | 1 | 37 | 355.93 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.35 | 4.39 | -5.85 | 1 | 4 | 0 | 36 | 354.922 | 7 | ↓ |