| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2010 | 23 | No |
Popular Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzenecarbohydroxamic 5-[bis(2-chloroethyl)amino]-2,4-…
| 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) | 1.90 | 8.86 | -52.99 | 1 | 10 | -1 | 147 | 366.137 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 7.65 | -22.62 | 2 | 10 | 0 | 144 | 367.145 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80133-1-O | EMT6 (Mammary Carcinoma Cells) (cluster #1 Of 3), Other | Other | 880 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80133 | Z80133 | EMT6 (Mammary Carcinoma Cells) | 880 | 0.37 | Functional ≤ 10μM |
