UCSF

ZINC66927471

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 23 No

Popular Name: (2S)-N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-methyl-3-methylsulfanyl- (2S)-N-[5-(4-allyl-5-thioxo-1H-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) 2.78 9.28 -48.76 1 6 -1 73 368.533 7 ↓
Lo Low (pH 4.5-6) 2.06 9.18 -15.81 2 6 0 76 369.541 7 ↓

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

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