UCSF

ZINC01841720

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 16 No

Popular Name: 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-chloro-3-methylphenoxy)methyl)-; 1,3,4-Oxadiazole-2-thiol, 5-((4-chloro-m-tolyloxy)methyl)-; 5-((4-Chloro-m-tolyloxy)methyl)-1,3,4-oxadiazole-2-thiol; BRN 0539167; LS-99177 1,3,4-Oxadiazole-2(3H)-thione, 5…

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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) 2.67 1.37 -39.05 0 4 -1 48 255.706 3 ↓
Lo Low (pH 4.5-6) 1.94 2.14 -12.33 1 4 0 51 256.714 3 ↓

Activity (Go SEA)

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