| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 28 | Yes |
Popular Name: 4-(2H-benzotriazol-5-ylamino)-6,7,8-trimethoxy-quinoline-3-carbonitrile 4-(2H-benzotriazol-5-ylamino)-6,…
| 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) | 3.03 | 4.55 | -12.17 | 2 | 9 | 0 | 118 | 376.376 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 4.56 | -13.77 | 2 | 9 | 0 | 118 | 376.376 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 4.47 | -13.57 | 2 | 9 | 0 | 118 | 376.376 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000018761A1 | IBM Patent Data |
