UCSF

ZINC01386201

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 Yes

Popular Name: 11-methyl-3-(trifluoromethyl)pyrido[3,2-b][1,5]benzoxazepine 11-methyl-3-(trifluoromethyl)pyr…

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CAS Number: 865657-92-7

Other Names:

MFCD04125172

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) 3.67 2.16 -6.98 0 3 0 38 278.233 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 78 - 80 KeyOrganics

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Rings

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

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