In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 24 | Yes |
Popular Name: 2-pyrrolidin-1-ylethylBLAH 2-pyrrolidin-1-ylethylBLAH
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) | 4.06 | -0.76 | -44.27 | 1 | 4 | 1 | 35 | 317.416 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50651-1-O | Vesicular Stomatitis Virus (cluster #1 Of 2), Other | Other | 4074 | 0.31 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50651 | Z50651 | Vesicular Stomatitis Virus | 1318.25674 | 0.34 | Functional ≤ 10μM |