UCSF

ZINC58341174

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 No

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-[ethyl(isopropyl)amino]benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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) 2.19 5.32 -18.22 1 5 0 66 338.473 6 ↓
Mid Mid (pH 6-8) 2.19 5.18 -90.44 2 5 0 68 339.481 6 ↓

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

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