| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 23 | No |
Popular Name: 1-(4-methoxyphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea 1-(4-methoxyphenyl)-3-[(2-oxoind…
| 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) | 3.52 | 2.18 | -29.12 | 4 | 6 | 1 | 84 | 327.389 | 5 | ↓ |
| Ref Reference (pH 7) | 2.61 | 5.67 | -12.67 | 3 | 6 | 0 | 79 | 326.381 | 5 | ↓ |
| Ref Reference (pH 7) | 2.43 | 5.89 | -36.69 | 4 | 6 | 1 | 77 | 327.389 | 6 | ↓ |
| Ref Reference (pH 7) | 2.61 | 5.85 | -14.2 | 3 | 6 | 0 | 79 | 326.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 4.04 | -46.55 | 2 | 6 | -1 | 82 | 325.373 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 3.75 | -43.87 | 2 | 6 | -1 | 82 | 325.373 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 2200 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602 | Z50602 | Human Herpesvirus 1 | 2200 | 0.34 | Functional ≤ 10μM |
