UCSF

ZINC49347899

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 No

Popular Name: N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-[[(3S)-1,1-dioxothiolan-3-y…

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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) -2.54 -5.7 -22.61 4 10 0 154 303.3 4 ↓
Mid Mid (pH 6-8) -2.08 -8.25 -63.08 3 10 -1 157 302.292 4 ↓
Lo Low (pH 4.5-6) -2.08 -7.16 -35.98 4 10 0 158 303.3 4 ↓

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

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