UCSF

ZINC00495079

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 No

Popular Name: 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone 2,3-dichloro-5,8-dimethoxy-1,4-n…

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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) 2.90 6.73 -10.95 0 4 0 53 287.098 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80156-1-O HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other Other 220 0.52 Functional ≤ 10μM
Z80462-1-O SCLC (Small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other Other 1000 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 220 0.52 Functional ≤ 10μM
Z80462 Z80462 SCLC (Small Cell Lung Carcinoma Cells) 1000 0.47 Functional ≤ 10μM

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