UCSF

ZINC20405677

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 27 Yes

Popular Name: 3-chloro-5-(trifluoromethyl)-N-{2-[5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]ethyl}-2-pyridinamine 3-chloro-5-(trifluoromethyl)-N-{…

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CAS Number: 478262-26-9

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) 4.46 10.64 -11.74 1 4 0 43 408.733 6 ↓
Lo Low (pH 4.5-6) 4.46 11.07 -45.38 2 4 1 44 409.741 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 211 - 213 KeyOrganics

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

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