| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2008 | 21 | No |
Popular Name: 2-(2-oxo-1,2-dihydro-3H-indol-3-yliden)-N-phenyl-1-hydrazinecarbothioamide 2-(2-oxo-1,2-dihydro-3H-indol-3-…
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CAS Number: 28492-94-6
| 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) | 2.55 | 6.56 | -13.76 | 3 | 5 | 0 | 69 | 296.355 | 4 | ↓ |
| Ref Reference (pH 7) | 2.38 | 6.6 | -34.92 | 4 | 5 | 1 | 67 | 297.363 | 5 | ↓ |
| Ref Reference (pH 7) | 2.55 | 6.38 | -12.21 | 3 | 5 | 0 | 69 | 296.355 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 4.74 | -46.84 | 2 | 5 | -1 | 72 | 295.347 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 4.45 | -44.19 | 2 | 5 | -1 | 72 | 295.347 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 2970 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602 | Z50602 | Human Herpesvirus 1 | 2970 | 0.37 | Functional ≤ 10μM |
