UCSF

ZINC69797458

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 No

Popular Name: N-[4-[[allyl(cyclohexylmethyl)amino]methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]-N-cyclopropyl-acetamide N-[4-[[allyl(cyclohexylmethyl)am…

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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) 3.29 10.91 -12.8 0 5 0 41 380.583 8 ↓
Mid Mid (pH 6-8) 3.29 12.92 -33.83 1 5 1 43 381.591 8 ↓

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

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