UCSF

ZINC01385117

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 27 Yes

Popular Name: 5-(3-methoxybenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one 5-(3-methoxybenzyl)-7-(trifluoro…

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CAS Number: 1008035-84-4

Other Names:

MFCD04124578

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) 3.97 1.39 -10.21 0 4 0 32 376.378 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 128 - 130 KeyOrganics

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Rings

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

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