| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2009 | 36 | Yes |
Popular Name: 6,7-dimethoxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine 6,7-dimethoxy-2-[4-(4-phenylphen…
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| 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) | 4.32 | 10.49 | -17.42 | 2 | 9 | 0 | 111 | 505.6 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.32 | 10.79 | -37.94 | 3 | 9 | 1 | 112 | 506.608 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 4200 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 4200 | 0.21 | Functional ≤ 10μM |
