UCSF

ZINC13408136

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 29 Yes

Popular Name: (NE)-N-[3-(4-methoxyphenyl)-5-(thiophene-2-carbonyl)-1,3,4-thiadiazol-2-ylidene]benzamide (NE)-N-[3-(4-methoxyphenyl)-5-(t…

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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) 4.96 8.6 -10.56 0 6 0 74 421.503 5 ↓
Lo Low (pH 4.5-6) 4.96 10.29 -29.23 1 6 1 75 422.511 5 ↓

Vendor Notes

Note Type Comments Provided By
mp 235 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

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