UCSF

ZINC01387004

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 Yes

Popular Name: 3-{[5-(cyclopentylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}cyclohexanone 3-{[5-(cyclopentylsulfanyl)-1,3,…

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CAS Number: 477856-03-4

Other Names:

MFCD01871410

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) 3.71 -1.26 -11.38 0 3 0 42 314.501 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 69 - 70 KeyOrganics

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Rings

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

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