| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 23 | Yes |
Popular Name: N-[(3S)-1-ethylazepan-1-ium-3-yl]-6-methoxy-3H-benzotriazole-5-carboxamide N-[(3S)-1-ethylazepan-1-ium-3-yl…
None
| 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) | 2.29 | 5.27 | -51.89 | 3 | 7 | 1 | 84 | 318.401 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 5.19 | -63.41 | 2 | 7 | 0 | 83 | 317.393 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0794184A1; US5932568 | IBM Patent Data |
