UCSF

ZINC18028709

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 28 No

Popular Name: DNC011362 DNC011362

Find On: PubMed — Wikipedia — Google

Other Names:

NSC-87509

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) 0.97 -1 -16.67 4 10 0 168 388.284 2 ↓
Mid Mid (pH 6-8) 0.08 1.14 -136.05 2 10 -2 173 386.268 2 ↓
Mid Mid (pH 6-8) 0.08 1.52 -97.04 2 10 -2 173 386.268 2 ↓
Mid Mid (pH 6-8) 0.97 -0.22 -51.46 3 10 -1 170 387.276 2 ↓
Mid Mid (pH 6-8) 0.97 -0 -49.32 3 10 -1 170 387.276 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q7ZJM1-1-V Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral Viruses 6200 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q7ZJM1_9HIV1 Q7ZJM1 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 6200 0.26 Binding ≤ 10μM

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