UCSF

ZINC00642589

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 32 Yes

Popular Name: DNC004634 DNC004634

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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) 4.62 -6.04 -50.47 4 7 1 85 425.516 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80017-2-O A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) (cluster #2 Of 2), Other Other 9500 0.22 Functional ≤ 10μM
Z80362-1-O P388 (Lymphoma Cells) (cluster #1 Of 8), Other Other 1200 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80017 Z80017 A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) 9500 0.22 Functional ≤ 10μM
Z80362 Z80362 P388 (Lymphoma Cells) 1200 0.26 Functional ≤ 10μM

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