UCSF

ZINC00021246

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 16 Yes

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) 3.71 -2.75 -6.28 2 3 0 51 251.742 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72547-2-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #2 Of 6), Viral Viruses 6660 0.45 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 1470 0.51 Binding ≤ 10μM

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