In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 5th, 2010 | 32 | No |
Popular Name: [(Z)-2-aminoethoxyiminomethyl]-ethyl-hydroxy-BLAHdione [(Z)-2-aminoethoxyiminomethyl]-e…
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) | 0.86 | 5.08 | -51.14 | 4 | 9 | 1 | 131 | 435.46 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 4.66 | -14.67 | 3 | 9 | 0 | 129 | 434.452 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80021-2-O | A498 (Renal Carcinoma Cells) (cluster #2 Of 5), Other | Other | 64 | 0.31 | Functional ≤ 10μM |
Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 360 | 0.28 | Functional ≤ 10μM |
Z81034-1-O | A2780 (Ovarian Carcinoma Cells) (cluster #1 Of 10), Other | Other | 5 | 0.36 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 4.9 | 0.36 | Functional ≤ 10μM |
Z80021 | Z80021 | A498 (Renal Carcinoma Cells) | 64 | 0.31 | Functional ≤ 10μM |
Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 360 | 0.28 | Functional ≤ 10μM |