| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 17 | No |
Popular Name: (1S,7R)-1,7-dimethyl-3,6,9,12,15-pentazacyclopentadecane (1S,7R)-1,7-dimethyl-3,6,9,12,15…
| 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) | -1.29 | -2.87 | -98.34 | 7 | 5 | 2 | 69 | 245.415 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.29 | -5.87 | -1.64 | 5 | 5 | 0 | 60 | 243.399 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.29 | -1.82 | -89 | 7 | 5 | 2 | 69 | 245.415 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.29 | -2.78 | -96.93 | 7 | 5 | 2 | 69 | 245.415 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.29 | -2.6 | -95.15 | 7 | 5 | 2 | 69 | 245.415 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -1.29 | -1.23 | -204.56 | 8 | 5 | 3 | 74 | 246.423 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -1.29 | -1.37 | -206.73 | 8 | 5 | 3 | 74 | 246.423 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0524161A1; EP0598753A1; EP0598753B1; US5610293; US5637578; US5874421; US6084093 | IBM Patent Data |
