UCSF

ZINC53345652

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-(p-tolylmethyl)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) 1.50 2.14 -12.22 1 4 0 49 296.436 6 ↓
Mid Mid (pH 6-8) 1.50 4.45 -52.74 2 4 1 51 297.444 6 ↓
Lo Low (pH 4.5-6) 1.50 5.6 -148.79 3 4 2 55 298.452 6 ↓
Lo Low (pH 4.5-6) 1.50 3.29 -61.06 2 4 1 54 297.444 6 ↓

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Rings

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

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