| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 22 | Yes |
Popular Name: 3-[(4S)-7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-amine 3-[(4S)-7,8-dimethyl-4-phenyl-3,…
None
| 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) | 3.00 | 7.7 | -46.34 | 3 | 2 | 1 | 31 | 295.45 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 9.99 | -118.12 | 4 | 2 | 2 | 32 | 296.458 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11-1-E | Kinesin-like Protein 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3060 | 0.35 | Functional ≤ 10μM |
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 2420 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 2420 | 0.36 | Functional ≤ 10μM |
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 3060 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Kinesins | |
| MHC class II antigen presentation |
