UCSF

ZINC00159402

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 No

Popular Name: 2-CHLORO-6-FLUOROBENZYLTHIOL 2-CHLORO-6-FLUOROBENZYLTHIOL

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CAS Number: 170924-52-4

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) 2.97 1.05 -3.33 0 0 0 0 176.643 1 ↓
Hi High (pH 8-9.5) 2.97 0.09 -46.06 0 0 -1 0 175.635 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 102°/15mm Oakwood Chemical

Activity (Go SEA)

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