In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 13th, 2010 | 34 | Yes |
Popular Name: (2R)-1-(isopropylamino)-3-[4-[6-(4-phenylpiperazin-1-yl)hexoxy]phenoxy]propan-2-ol (2R)-1-(isopropylamino)-3-[4-[6-…
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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) | 5.04 | 11.69 | -88.01 | 4 | 6 | 2 | 63 | 471.686 | 15 | ↓ |
Hi High (pH 8-9.5) | 5.04 | 9.48 | -44.2 | 3 | 6 | 1 | 62 | 470.678 | 15 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0005142A1; US4202978; US4247710; US4278608; US4281189; US4285873; US4301300; US4304721; US4314085; US4329289; US4336382 | IBM Patent Data |