UCSF

ZINC13396584

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 31 No

Popular Name: 5-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-methyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione 5-(2-{[3-chloro-5-(trifluorometh…

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CAS Number: 317833-32-2

Other Names:

MFCD00202654

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) 2.73 7.72 -9.01 1 7 0 75 454.836 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 170 - 172 KeyOrganics

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