UCSF

ZINC67172473

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 17 No

Popular Name: N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine 5,5-dioxide N-phenyl-3a,4,6,6a-tetrahydrothi…

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CAS Numbers: 1325303-65-8 , [1325303-65-8]

Other Names:

MFCD19104991

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) 1.33 2.67 -14.72 1 4 0 59 268.363 1 ↓
Mid Mid (pH 6-8) 1.33 2.71 -40.43 2 4 1 60 269.371 2 ↓

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

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