| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2010 | 29 | No |
Popular Name: [(E)-[(5R,7S)-1-tetradecyl-2-adamantylidene]amino]thiourea [(E)-[(5R,7S)-1-tetradecyl-2-ada…
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| 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) | 8.84 | 16.29 | -8.39 | 3 | 3 | 0 | 50 | 419.723 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-3-O | Trypanosoma Brucei (cluster #3 Of 6), Other | Other | 420 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418 | Z50418 | Trypanosoma Brucei | 420 | 0.31 | Functional ≤ 10μM |
