| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 26 | No |
Popular Name: (E)-3-[4-[(1S)-1-(1-ethylbenzimidazol-2-yl)propyl]phenyl]prop-2-enehydroxamic (E)-3-[4-[(1S)-1-(1-ethylbenzimi…
| 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) | 3.94 | 9.56 | -21.67 | 2 | 5 | 0 | 67 | 349.434 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 10.8 | -64.06 | 1 | 5 | -1 | 70 | 348.426 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 9.87 | -45.29 | 3 | 5 | 1 | 68 | 350.442 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 310 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 310 | 0.35 | Functional ≤ 10μM |
