UCSF

ZINC13545385

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 27 No

Popular Name: N-methyl-2-{[3-(2-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]carbonyl}-1-hydrazinecarbothioamide N-methyl-2-{[3-(2-pyridinyl)-6-(…

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CAS Number: 551921-21-2

Other Names:

MFCD01315041

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) 2.84 6.67 -18.55 3 6 0 79 411.434 6 ↓
Lo Low (pH 4.5-6) 2.84 7.32 -38.99 4 6 1 80 412.442 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 235 - 238 KeyOrganics

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Rings

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

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