UCSF

ZINC01629392

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 21 No

Popular Name: 2-chloro-3-hydroxy-naphtho[3,2-b]benzofuran-6,11-quinone 2-chloro-3-hydroxy-naphtho[3,2-b…

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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) 4.01 -0.46 -9.31 1 4 0 67 298.681 0 ↓

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 6090 0.35 Functional ≤ 10μM
Z81052-1-O Human Tumour Cell Line (cluster #1 Of 1), Other Other 10000 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 6090 0.35 Functional ≤ 10μM
Z81052 Z81052 Human Tumour Cell Line 10000 0.33 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.