UCSF

ZINC54654572

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 26 Yes

Popular Name: N-[(4-carbamoylphenyl)methyl]-2-(diethylamino)thieno[2,3-d]thiazole-5-carboxamide N-[(4-carbamoylphenyl)methyl]-2-…

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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) 2.76 5.87 -16.15 3 6 0 88 388.518 7 ↓
Lo Low (pH 4.5-6) 2.76 6.27 -36.55 4 6 1 90 389.526 7 ↓

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

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