| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 23 | No |
Popular Name: methylBLAHone methylBLAHone
None
| 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) | 2.74 | 7.14 | -16.21 | 0 | 4 | 0 | 56 | 297.317 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80019-1-O | A-427 (Lung Carcinoma Cells) (cluster #1 Of 4), Other | Other | 50 | 0.44 | Functional ≤ 10μM |
| Z80179-1-O | J82 (Bladder Carcinoma Cells) (cluster #1 Of 1), Other | Other | 400 | 0.39 | Functional ≤ 10μM |
| Z80211-1-O | LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 500 | 0.38 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 30 | 0.46 | Functional ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 60 | 0.44 | Functional ≤ 10μM |
| Z80532-1-O | T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other | Other | 60 | 0.44 | Functional ≤ 10μM |
| Z80563-1-O | U-373 MG ( Glioblastoma Cells) (cluster #1 Of 1), Other | Other | 100 | 0.43 | Functional ≤ 10μM |
| Z80565-1-O | U-87 MG (Glioblastoma Cells) (cluster #1 Of 2), Other | Other | 60 | 0.44 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 100 | 0.43 | Functional ≤ 10μM |
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 40 | 0.45 | Functional ≤ 10μM |
| Z81335-1-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 60 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80019 | Z80019 | A-427 (Lung Carcinoma Cells) | 50 | 0.44 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 100 | 0.43 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 60 | 0.44 | Functional ≤ 10μM |
| Z80179 | Z80179 | J82 (Bladder Carcinoma Cells) | 400 | 0.39 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 500 | 0.38 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 30 | 0.46 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 60 | 0.44 | Functional ≤ 10μM |
| Z80532 | Z80532 | T-24 (Bladder Carcinoma Cells) | 60 | 0.44 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 40 | 0.45 | Functional ≤ 10μM |
| Z80563 | Z80563 | U-373 MG ( Glioblastoma Cells) | 100 | 0.43 | Functional ≤ 10μM |
| Z80565 | Z80565 | U-87 MG (Glioblastoma Cells) | 60 | 0.44 | Functional ≤ 10μM |
