UCSF

ZINC01401977

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 15 Yes

Popular Name: Methyl p-toluenesulfonylacetate Methyl p-toluenesulfonylacetate

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CAS Number: 50397-64-3

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) 1.12 3.62 -15.18 0 4 0 60 228.269 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics

Activity (Go SEA)

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