In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 18 | Yes |
Popular Name: (2R)-2-(4-isopropylphenyl)-2-(1-piperidyl)ethanamine (2R)-2-(4-isopropylphenyl)-2-(1-…
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CAS Number: N/A
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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) | 3.15 | 8.13 | -116.58 | 4 | 2 | 2 | 32 | 248.414 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.15 | 7.78 | -31.13 | 3 | 2 | 1 | 30 | 247.406 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.15 | 6.02 | -43.55 | 3 | 2 | 1 | 31 | 247.406 | 4 | ↓ |