| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 23 | No |
Popular Name: N'-(4-chloro-3-fluoro-phenyl)-N-(1-propyl-4-piperidyl)oxamide N'-(4-chloro-3-fluoro-phenyl)-N-…
| 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) | 2.29 | 6.39 | -42.53 | 3 | 5 | 1 | 63 | 342.822 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 5.57 | -56.65 | 2 | 5 | 0 | 69 | 341.814 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ENV-1-V | Envelope Glycoprotein Gp160 (cluster #1 Of 2), Viral | Viruses | 4200 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ENV_HV1Y2 | P35961 | Envelope Glycoprotein Gp160, Hv1y2 | 4200 | 0.33 | Binding ≤ 10μM |
