In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 38 | Yes |
Popular Name: N-phenyl-N-[3-[4-[3-(N-phenylanilino)propyl]piperazin-1-yl]propyl]aniline N-phenyl-N-[3-[4-[3-(N-phenylani…
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) | 7.62 | 19.3 | -41.44 | 1 | 4 | 1 | 14 | 505.73 | 12 | ↓ |
Hi High (pH 8-9.5) | 7.62 | 17.04 | -6.17 | 0 | 4 | 0 | 13 | 504.722 | 12 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | US4292321; US4364954; US4411904 | IBM Patent Data |