UCSF

ZINC01562124

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 28 No

Popular Name: stictic acid stictic acid

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CAS Number: 549-06-4

Other Names:

BRD-A29578214-001-02-7

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) 2.15 4.14 -16.28 2 9 0 136 386.312 2 ↓
Mid Mid (pH 6-8) 2.15 4.91 -50.5 1 9 -1 139 385.304 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 4400 0.27 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 1900 0.29 Binding ≤ 10μM

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