UCSF

ZINC67172715

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 22 Yes

Popular Name: 2-(dimethylamino)-3-(4-methoxyphenyl)-3H-thieno[2,3-d]imidazole-5-carboxylic acid 2-(dimethylamino)-3-(4-methoxyph…

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CAS Numbers: 1325305-36-9 , [1325305-36-9]

Other Names:

MFCD19705790

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) 2.82 10.41 -42.33 1 6 0 72 317.37 4 ↓
Hi High (pH 8-9.5) 2.82 9.94 -51.88 0 6 -1 70 316.362 4 ↓

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

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