UCSF

ZINC21298440

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 26 Yes

Popular Name: 3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol hydrochloride 3-(6-Chloro-5-fluoropyrimidin-4-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 137234-75-4 , 188416-20-8 , 188416-35-5

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) 2.29 9.4 -6.71 1 6 0 77 383.761 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0871625A1 IBM Patent Data

Activity (Go SEA)

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