UCSF

ZINC12209064

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 26 Yes

Popular Name: N-(3-ethoxypropyl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[4,5-e]pyrimidine-6-carboxamide N-(3-ethoxypropyl)-5-methyl-4-(4…

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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) 1.86 -2.92 -43.75 2 7 1 72 378.522 7 ↓

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Rings

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

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