UCSF

ZINC58541324

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 23 Yes

Popular Name: 6-[(2,3-dimethoxyphenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-2,4-diamine 6-[(2,3-dimethoxyphenyl)methyl]-…

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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) 3.10 6.66 -14.35 4 6 0 96 330.413 4 ↓
Lo Low (pH 4.5-6) 3.10 7.14 -28.74 5 6 1 98 331.421 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50424-1-O Cryptosporidium Parvum (cluster #1 Of 2), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50424 Z50424 Cryptosporidium Parvum 0.1 0.61 Functional ≤ 10μM

Rings

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

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