UCSF

ZINC62653831

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 19 No

Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-[[(3S)-1,1-dioxothiolan-3-yl]a…

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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) 0.12 2.63 -17.66 1 5 0 68 284.381 4 ↓
Mid Mid (pH 6-8) 0.12 3.78 -60.47 2 5 1 73 285.389 4 ↓

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

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