UCSF

ZINC05996947

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 14 No

Popular Name: 5-(4-chlorobenzyl)-1,3,4-oxadiazole-2-thiol 5-(4-chlorobenzyl)-1,3,4-oxadiaz…

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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) 2.60 2.17 -39.26 0 3 -1 39 225.68 2 ↓
Mid Mid (pH 6-8) 1.87 2.88 -10.6 1 3 0 42 226.688 2 ↓

Activity (Go SEA)

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