UCSF

ZINC00403052

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

CAS Number: 708-75-8

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) -0.40 0.58 -19.87 3 6 0 98 177.167 0
Hi High (pH 8-9.5) 0.06 -0.54 -47.79 2 6 -1 101 176.159 0

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 250 0.71 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TGT_ZYMMO P28720 TRNA-guanine Transglycosylase, Zymmo 250 0.71 Binding ≤ 1μM
TGT_ZYMMO P28720 TRNA-guanine Transglycosylase, Zymmo 250 0.71 Binding ≤ 10μM

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