UCSF

ZINC20405296

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 26 No

Popular Name: 4-amino-2-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1H-isoindole-1,3(2H)-dione 4-amino-2-(2-{[3-chloro-5-(trifl…

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CAS Number: 339101-72-3

Other Names:

MFCD01568697

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) 2.74 5.61 -11.22 3 6 0 90 384.745 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 166 - 168 KeyOrganics

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

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