| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 17 | Yes |
Popular Name: 3-phenylisocarbostyril 3-phenylisocarbostyril
| 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) | 3.39 | -0.87 | -11.82 | 1 | 2 | 0 | 32 | 221.259 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 205.9 - 207.5 | MolMall (formerly Molecular Diversity Preservation International) |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80482-4-O | SK-MEL-2 (Melanoma Cells) (cluster #4 Of 4), Other | Other | 2570 | 0.46 | Functional ≤ 10μM |
| Z80493-1-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #1 Of 6), Other | Other | 2450 | 0.46 | Functional ≤ 10μM |
| Z80600-1-O | XF498 (Glioma Cells) (cluster #1 Of 2), Other | Other | 1380 | 0.48 | Functional ≤ 10μM |
| Z80682-7-O | A549 (Lung Carcinoma Cells) (cluster #7 Of 11), Other | Other | 5750 | 0.43 | Functional ≤ 10μM |
| Z81335-1-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 5890 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 5750 | 0.43 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 5890 | 0.43 | Functional ≤ 10μM |
| Z80482 | Z80482 | SK-MEL-2 (Melanoma Cells) | 2570 | 0.46 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 2450 | 0.46 | Functional ≤ 10μM |
| Z80600 | Z80600 | XF498 (Glioma Cells) | 1380 | 0.48 | Functional ≤ 10μM |
