UCSF

ZINC98213334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2014 19 Yes

Popular Name: 2-(BOC-AMINO)-2-(3-THIOPHENYL)ACETIC ACID 2-(BOC-AMINO)-2-(3-THIOPHENYL)AC…

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CAS Number: 40512-57-0

Other Names:

MFCD02683176

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.25 6.65 -54.75 1 5 -1 78 282.341 5 ↓
Ref Reference (pH 7) 2.17 6.66 -111.46 1 5 -2 78 281.333 5 ↓
Mid Mid (pH 6-8) 2.17 6.03 -51.28 1 5 -1 78 282.341 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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

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