UCSF

ZINC22996849

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 21 Yes

Popular Name: ethyl 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate ethyl 2-(4-chlorophenyl)-4,5,6,7…

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CAS Number: 33814-67-4

Other Names:

MFCD11501869

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) 4.09 10.29 -7.8 0 3 0 39 321.829 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 110 - 111 KeyOrganics

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Rings

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

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