UCSF

ZINC21674715

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 29 Yes

Popular Name: 7-methyl-2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[2,3-b]py 7-methyl-2-[[4-[[4-(trifluoromet…

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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) 2.39 8.89 -48.24 1 6 1 55 424.472 5 ↓
Mid Mid (pH 6-8) 2.39 6.56 -16.83 0 6 0 54 423.464 5 ↓
Mid Mid (pH 6-8) 2.39 8.94 -64.55 1 6 1 55 424.472 5 ↓

Activity (Go SEA)

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