| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 27 | Yes |
Popular Name: N'-[3-(cycloheptylmethylamino)propyl]-N-(3-ethylaminopropyl)heptane-1,7-diamine N'-[3-(cycloheptylmethylamino)pr…
| 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) | 3.82 | 11.69 | -250.9 | 8 | 4 | 4 | 66 | 386.713 | 19 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 10.24 | -174.12 | 7 | 4 | 3 | 62 | 385.705 | 19 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 8.83 | -88.85 | 6 | 4 | 2 | 57 | 384.697 | 19 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80310-1-O | NCH82 (cluster #1 Of 1), Other | Other | 9000 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80310 | Z80310 | NCH82 | 9000 | 0.26 | Functional ≤ 10μM |
