| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 30 | No |
Popular Name: (1S)-1-[(4-benzyloxyphenyl)methyl]-3,6,9,12,15-pentazacyclopentadecane (1S)-1-[(4-benzyloxyphenyl)methy…
| 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) | 1.14 | 3.94 | -102.31 | 7 | 6 | 2 | 79 | 413.61 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 3.57 | -37.85 | 6 | 6 | 1 | 74 | 412.602 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 4.94 | -99.63 | 7 | 6 | 2 | 79 | 413.61 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 3.11 | -110.18 | 7 | 6 | 2 | 79 | 413.61 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 5.25 | -218.92 | 8 | 6 | 3 | 83 | 414.618 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 5.55 | -214.98 | 8 | 6 | 3 | 83 | 414.618 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0524161A1; EP0598753A1; EP0598753B1; US5610293; US5637578; US5874421; US6084093 | IBM Patent Data |
