UCSF

ZINC01384347

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 22 No

Popular Name: N-[4-oxo-5-{(Z)-[2-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-1,3-thiazol-2(4H)-yl]guanidine N-[4-oxo-5-{(Z)-[2-(1H-1,2,4-tri…

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CAS Number: 861209-97-4

Other Names:

MFCD03787543

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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) 0.05 7.17 -44.87 3 8 -1 125 312.338 4 ↓
Hi High (pH 8-9.5) 0.92 7.13 -54.6 3 8 -1 123 312.338 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 260 - 262 KeyOrganics

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Rings

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