UCSF

ZINC03949441

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 22 No

Popular Name: 5-[bis(2-bromoethyl)amino]-2,4-dinitro-benzamide 5-[bis(2-bromoethyl)amino]-2,4-d…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.11 -1.85 -15.7 2 9 0 137 440.048 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8X6S1-1-B Modulator Of Drug Activity A (cluster #1 Of 1), Bacterial Bacteria 250 0.42 Functional ≤ 10μM
Z80133-1-O EMT6 (Mammary Carcinoma Cells) (cluster #1 Of 3), Other Other 40 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80133 Z80133 EMT6 (Mammary Carcinoma Cells) 40 0.47 Functional ≤ 10μM
Q8X6S1_ECO57 Q8X6S1 Modulator Of Drug Activity A, Eco57 250 0.42 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )