UCSF

ZINC23042755

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 28 No

Popular Name: 5-(tert-butylamino)-3-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 5-(tert-butylamino)-3-[[4-(4-chl…

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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) 3.73 8.79 -15.08 1 8 0 82 442.998 6 ↓
Mid Mid (pH 6-8) 3.73 11.18 -48.81 2 8 1 83 444.006 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.