| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 26th, 2006 | 23 | No |
Popular Name: 1-(3-methoxyphenyl)-3-(2-oxoindolin-3-ylidene)amino-thiourea 1-(3-methoxyphenyl)-3-(2-oxoindo…
| 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) | 2.58 | 5.81 | -13.55 | 3 | 6 | 0 | 79 | 326.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 4.01 | -46.45 | 2 | 6 | -1 | 82 | 325.373 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 3.73 | -45.18 | 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 | 2640 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602 | Z50602 | Human Herpesvirus 1 | 2640 | 0.34 | Functional ≤ 10μM |
