UCSF

ZINC37309651

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 No

Popular Name: 1-(1,1-dioxo-1$l^{6}-thiolan-3-yl)-2-methyl-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride 1-(1,1-dioxo-1$l^{6}-thiolan-3-y…

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CAS Number: 1354957-53-1

Other Names:

MFCD20502078

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) 0.99 4.61 -64.91 0 6 -1 92 293.324 2 ↓
Mid Mid (pH 6-8) 0.99 5.05 -68.01 1 6 0 93 294.332 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 299 - 301 Enamine Building Blocks
MP 299...301 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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