| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 14 | Yes |
Popular Name: Ethanol, 2-[(6-amino-2-benzothiazolyl)amino]- (9CI) Ethanol, 2-[(6-amino-2-benzothia…
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CAS Number: 494852-89-0
| 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) | 0.77 | -0.41 | -9.51 | 4 | 4 | 0 | 71 | 209.274 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50417-3-O | Leishmania Infantum (cluster #3 Of 4), Other | Other | 3000 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50417 | Z50417 | Leishmania Infantum | 3000 | 0.55 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.