UCSF

ZINC03960046

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 26 Yes

Popular Name: 2-(2-amino-3,5,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)-5-[(4-chlorophenyl)sulfanylmethyl]py 2-(2-amino-3,5,9-triazabicyclo[4…

Find On: PubMed — Wikipedia — Google

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) 1.12 -9.84 -53.62 7 7 1 124 392.892 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTNN-1-B 5'-methylthioadenosine/S-adenosylhomocysteine Nucleosidase (cluster #1 Of 1), Bacterial Bacteria 2 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTNN_VIBCH Q9KPI8 5'-methylthioadenosine/S-adenosylhomocysteine Nucleosidase, Vibch 2.2 0.47 Binding ≤ 1μM
MTNN_VIBCH Q9KPI8 5'-methylthioadenosine/S-adenosylhomocysteine Nucleosidase, Vibch 2.2 0.47 Binding ≤ 10μM

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