UCSF

ZINC01383708

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 No

Popular Name: N-[(Z)-3-thienylmethylidene]-4H-1,2,4-triazol-4-amine N-[(Z)-3-thienylmethylidene]-4H-…

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CAS Number: 125142-81-6

Other Names:

MFCD02186089

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) 0.48 5.92 -10.37 0 4 0 43 178.22 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 179 - 180 KeyOrganics

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Rings

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

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