UCSF

ZINC53390393

Draw Identity 99% 90% 80% 70%

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-(thiazol-4-ylmethyl)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) 0.22 0.83 -50.49 2 5 1 63 290.434 6 ↓
Mid Mid (pH 6-8) 0.22 -0.34 -61.45 2 5 1 67 290.434 6 ↓
Mid Mid (pH 6-8) 0.22 1.98 -143.53 3 5 2 68 291.442 6 ↓
Mid Mid (pH 6-8) 0.22 -1.48 -14.18 1 5 0 62 289.426 6 ↓

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Rings

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

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