| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2012 | 28 | No |
Popular Name: 1-[(4-nitrophenyl)methyl]-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane 1-[(4-nitrophenyl)methyl]-4,7,13…
| 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) | 0.56 | 5.17 | -46.38 | 2 | 9 | 1 | 103 | 398.48 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.56 | 2.43 | -8.85 | 1 | 9 | 0 | 98 | 397.472 | 3 | ↓ |
