UCSF

ZINC52509444

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 22 No

Popular Name: (S)-4-(2,4-Difluoro-5-(pyrimidin-5-yl)phenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (S)-4-(2,4-Difluoro-5-(pyrimidin…

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CAS Numbers: 1194044-20-6 , [1194044-20-6]

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) 2.52 7.12 -34.55 3 4 1 66 321.376 2 ↓
Ref Reference (pH 7) 2.65 6.34 -35.71 3 4 1 63 321.376 2 ↓
Hi High (pH 8-9.5) -4.43 -10.66 -57.12 7 12 -1 209 365.315 7 ↓

Vendor Notes

Note Type Comments Provided By
Target 5-alpha Reductase Selleck Chemicals
Purity 95% Fluorochem

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Rings

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

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