UCSF

ZINC25809774

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 31 Yes

Popular Name: 4-[[4-[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]methyl]benzonitrile 4-[[4-[2-[[4-(3-chlorophenyl)-1,…

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Vendors

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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) 2.91 12.63 -14.79 0 7 0 78 452.971 6 ↓
Lo Low (pH 4.5-6) 2.91 14.9 -62.47 1 7 1 79 453.979 6 ↓

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