UCSF

ZINC53381324

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 No

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-(3-thienylmethyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-yl]-…

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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) 0.63 0.43 -12.13 1 4 0 49 288.438 6 ↓
Mid Mid (pH 6-8) 0.63 2.75 -52.78 2 4 1 51 289.446 6 ↓
Lo Low (pH 4.5-6) 0.63 1.57 -61.19 2 4 1 54 289.446 6 ↓
Lo Low (pH 4.5-6) 0.63 3.9 -148.32 3 4 2 55 290.454 6 ↓

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Rings

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

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