UCSF

ZINC06008460

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 17 No

Popular Name: N-(6-methoxy-4-methylquinazolin-2-yl)guanidine N-(6-methoxy-4-methylquinazolin-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 244052-68-4

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) 0.92 3.28 -13.51 4 6 0 99 231.259 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50600-2-O Vaccinia Virus (cluster #2 Of 2), Other Other 7400 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50600 Z50600 Vaccinia Virus 7400 0.42 Functional ≤ 10μM

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