UCSF

ZINC04241006

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 19 No

Popular Name: 4-[3,5-Bis(trifluoromethyl)phenyl]-3-thiosemicarbazide 4-[3,5-Bis(trifluoromethyl)pheny…

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CAS Numbers: 38901-31-4 , [38901-31-4]

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) 1.62 5.32 -12.03 4 3 0 50 303.231 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 158-160° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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