UCSF

ZINC13438135

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 21 No

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) 2.17 -0.05 -13.33 4 6 0 107 290.271 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-1-E Tyrosinase (cluster #1 Of 2), Eukaryotic Eukaryotes 4930 0.35 Binding ≤ 10μM
Q72547-4-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #4 Of 6), Viral Viruses 7900 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 4500 0.36 Binding ≤ 10μM
TYRO_HUMAN P14679 Tyrosinase, Human 4930 0.35 Binding ≤ 10μM

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