UCSF

ZINC70203084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 10 No

Popular Name: octahydro-2H-1,4-benzothiazine octahydro-2H-1,4-benzothiazine

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CAS Number: 29442-16-8

Other Names:

MFCD20278771

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) 1.87 4.96 -37.33 2 1 1 17 158.29 0 ↓
Hi High (pH 8-9.5) 1.87 4.12 -2.19 1 1 0 12 157.282 0 ↓

Vendor Notes

Note Type Comments Provided By
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.