UCSF

ZINC05974129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 23 No

Popular Name: S-1360 S-1360

Find On: PubMed — Wikipedia — Google

Other Names:

GW-810781

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) 2.06 10.25 -13.23 1 6 0 89 313.288 6 ↓
Hi High (pH 8-9.5) 3.25 9.07 -64.17 1 6 -1 95 312.28 5 ↓
Hi High (pH 8-9.5) 3.25 9.13 -60.88 1 6 -1 95 312.28 5 ↓
Mid Mid (pH 6-8) 3.25 9.08 -47.57 1 6 -1 95 312.28 5 ↓
Mid Mid (pH 6-8) 2.06 10.08 -45.35 0 6 -1 87 312.28 6 ↓
Mid Mid (pH 6-8) 2.06 10.26 -21.04 1 6 0 89 313.288 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72547-1-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral Viruses 20 0.47 Binding ≤ 10μM
Q7ZJM1-1-V Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral Viruses 20 0.47 Binding ≤ 10μM
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 140 0.42 Functional ≤ 10μM
Z50677-1-O Human Immunodeficiency Virus (cluster #1 Of 3), Other Other 200 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q7ZJM1_9HIV1 Q7ZJM1 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 20 0.47 Binding ≤ 1μM
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 20 0.47 Binding ≤ 1μM
Q7ZJM1_9HIV1 Q7ZJM1 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 20 0.47 Binding ≤ 10μM
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 20 0.47 Binding ≤ 10μM
Z50677 Z50677 Human Immunodeficiency Virus 200 0.41 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 140 0.42 Functional ≤ 10μM

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

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