| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 18 | Yes |
Popular Name: 2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol 2-[(6-bromo-2,3,4,9-tetrahydro-1…
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CAS Number: 221028-13-3
| 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) | 3.05 | -4.76 | -43.38 | 4 | 3 | 1 | 52 | 310.215 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101849-2-O | Human Papillomavirus Type 16 (cluster #2 Of 2), Other | Other | 6830 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101849 | Z101849 | Human Papillomavirus Type 16 | 6830 | 0.40 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.