| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2008 | 16 | Yes |
Popular Name: 2-(1H-Indol-1-yl)aniline 2-(1H-Indol-1-yl)aniline
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CAS Number: 473918-48-8
| 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) | 3.15 | 7.66 | -5.01 | 2 | 2 | 0 | 31 | 208.264 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 4960 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 4960 | 0.46 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.