UCSF

ZINC24992203

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 28 No

Popular Name: 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione 3-[[4-(4-nitrophenyl)piperazin-1…

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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) 1.76 8.09 -125.03 2 9 2 89 406.512 6 ↓
Mid Mid (pH 6-8) 1.76 5.55 -54.82 1 9 1 88 405.504 6 ↓
Mid Mid (pH 6-8) 1.76 5.72 -54.98 1 9 1 88 405.504 6 ↓
Mid Mid (pH 6-8) 1.76 3.18 -13.16 0 9 0 87 404.496 6 ↓

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