| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2008 | 26 | Yes |
Popular Name: 2-[(2R)-3-[(2S)-2-benzylpyrrolidin-1-yl]-2-hydroxy-propoxy]-6-chloro-benzonitrile 2-[(2R)-3-[(2S)-2-benzylpyrrolid…
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) | 3.91 | 10.28 | -52.05 | 2 | 4 | 1 | 58 | 371.888 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 120 | 0.37 | Functional ≤ 10μM |
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 350 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 120 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.