UCSF

ZINC01559511

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 13 No

Popular Name: 1-(1,3-benzothiazol-2-yl)propan-2-one 1-(1,3-benzothiazol-2-yl)propan-…

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CAS Numbers: 123150-31-2 , 164976-51-6 , 36874-53-0

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) 1.83 5.31 -13.48 0 2 0 30 191.255 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 114 - 116 Enamine Building Blocks
MP 114...116 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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