| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 22 | Yes |
Popular Name: N'-(4-aminobutyl)-N-[[(1R)-tetralin-1-yl]methyl]butane-1,4-diamine N'-(4-aminobutyl)-N-[[(1R)-tetra…
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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) | 1.44 | 7.99 | -182.61 | 7 | 3 | 3 | 61 | 306.518 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035-2-O | B16 (Melanoma Cells) (cluster #2 Of 7), Other | Other | 6960 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035 | Z80035 | B16 (Melanoma Cells) | 6960 | 0.33 | Functional ≤ 10μM |
