| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 24 | No |
Popular Name: N-[3-[3-(3-aminopropylamino)propylamino]propyl]octane-1-sulfonamide N-[3-[3-(3-aminopropylamino)prop…
| 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) | 1.42 | 3.71 | -202.82 | 8 | 6 | 3 | 107 | 367.624 | 19 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 3.33 | -121.73 | 7 | 6 | 2 | 105 | 366.616 | 19 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 1.99 | -47.78 | 6 | 6 | 1 | 101 | 365.608 | 19 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 2 | -52.79 | 6 | 6 | 1 | 101 | 365.608 | 19 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936-4-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #4 Of 4), Other | Other | 5560 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 5560 | 0.31 | Functional ≤ 10μM |
