| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 26 | Yes |
Popular Name: 1-[2-[(2S)-2-hydroxy-3-pyrrolidin-1-yl-propoxy]phenyl]-3-phenyl-propan-1-one 1-[2-[(2S)-2-hydroxy-3-pyrrolidi…
| 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) | 3.58 | 11.6 | -41.34 | 2 | 4 | 1 | 51 | 354.47 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80066-1-O | CCRF-CEM/VCR-1000 (cluster #1 Of 1), Other | Other | 1820 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80066 | Z80066 | CCRF-CEM/VCR-1000 | 1820 | 0.31 | Functional ≤ 10μM |
