UCSF

ZINC01382796

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 24 Yes

Popular Name: 6-chloro-3-(3,4-dichlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline 6-chloro-3-(3,4-dichlorobenzyl)-…

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CAS Number: 338400-83-2

Other Names:

MFCD01568323

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.15 -0.13 -55.48 1 3 1 26 380.682 2 ↓
Lo Low (pH 4.5-6) 5.15 0.06 -105.05 2 3 2 27 381.69 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 160 - 163 KeyOrganics

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Rings

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

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