UCSF

ZINC52514013

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 9 No

Popular Name: 2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylic acid 2-thiabicyclo[3.1.0]hex-3-ene-6-…

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CAS Number: 856656-74-1

Other Names:

MFCD16090000

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) 0.95 5 -44.89 0 2 -1 40 141.171 1 ↓

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Rings

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

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