UCSF

ZINC58344131

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 22 No

Popular Name: (2S)-2-allyloxy-N-[4-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)thiazol-2-yl]propanamide (2S)-2-allyloxy-N-[4-methyl-5-(4…

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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) 1.86 7.57 -54.4 1 7 -1 82 338.438 6 ↓
Lo Low (pH 4.5-6) 1.13 7.5 -21.9 2 7 0 85 339.446 6 ↓

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

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