| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 30 | Yes |
Popular Name: N-(4-aminobutyl)-N-[[4-[(bis(4-aminobutyl)amino)methyl]phenyl]methyl]butane-1,4-diamine N-(4-aminobutyl)-N-[[4-[(bis(4-a…
| 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) | -1.07 | 4.48 | -326.95 | 13 | 6 | 5 | 118 | 425.73 | 20 | ↓ |
| Mid Mid (pH 6-8) | -1.07 | 6.64 | -448.48 | 14 | 6 | 6 | 119 | 426.738 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712-4-O | T47D (Breast Carcinoma Cells) (cluster #4 Of 7), Other | Other | 2800 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 2800 | 0.26 | Functional ≤ 10μM |
