UCSF

ZINC22996616

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 25 No

Popular Name: (2-chlorophenyl){5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1H-1,2,3,4-tetraazol-1-yl}methanone (2-chlorophenyl){5-[3-chloro-5-(…

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CAS Number: 1092345-83-9

Other Names:

MFCD11501807

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) 3.76 5.31 -8.12 1 6 0 70 390.152 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 75 - 78 KeyOrganics

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Rings

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

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