UCSF

ZINC36152459

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 No

Popular Name: DNC012889 DNC012889

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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) -4.00 1.2 -368.37 3 16 -3 255 487.171 8 ↓
Hi High (pH 8-9.5) -3.87 0.97 -373.55 2 16 -4 251 486.163 8 ↓
Hi High (pH 8-9.5) -3.87 0.99 -372.02 2 16 -4 251 486.163 8 ↓
Mid Mid (pH 6-8) -4.00 0.18 -369.44 2 16 -4 254 486.163 8 ↓
Mid Mid (pH 6-8) -3.87 0.91 -369.41 3 16 -3 253 487.171 8 ↓
Lo Low (pH 4.5-6) -4.00 0.05 -240.64 4 16 -2 252 488.179 8 ↓

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 25 0.35 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 25 0.35 Binding ≤ 1μM
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 25 0.35 Binding ≤ 10μM

Rings

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

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