UCSF

ZINC03066699

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 15 Yes

Popular Name: 3-amino-2-(2-hydroxyethyl)-1H-pyrazolo[4,3-c]pyridine-4,6-quinone 3-amino-2-(2-hydroxyethyl)-1H-py…

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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) -1.31 -3.71 -21.6 5 7 0 117 210.193 2 ↓
Hi High (pH 8-9.5) -0.86 -4.83 -43.73 4 7 -1 120 209.185 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TGT-2-B Queuine TRNA-ribosyltransferase (cluster #2 Of 2), Bacterial Bacteria 8100 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TGT_ZYMMO P28720 TRNA-guanine Transglycosylase, Zymmo 8100 0.48 Binding ≤ 10μM

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

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