UCSF

ZINC19074701

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 12 No

Popular Name: 3-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YLTHIO)PROPIONIC ACID 3-(5-MERCAPTO-1,3,4-THIADIAZOL-2…

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CAS Number: 57658-21-6

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) 1.29 2.99 -88.85 0 4 -2 66 220.3 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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

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