UCSF

ZINC04500489

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 30 Yes

Popular Name: 2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-piperidyl)-ethan 2-[[4-(3,4-dimethylphenyl)-5-(4-…

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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) 4.01 1.07 -11.87 0 6 0 63 421.57 5 ↓

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