UCSF

ZINC53430794

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 No

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(2-methylthiazol-4-yl)methyl]ethane-1,2-diamine N'-[(3R)-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) -0.07 1.85 -49.72 2 5 1 63 304.461 6 ↓
Mid Mid (pH 6-8) -0.07 -0.53 -13.7 1 5 0 62 303.453 6 ↓
Mid Mid (pH 6-8) -0.07 0.65 -62.69 2 5 1 67 304.461 6 ↓
Mid Mid (pH 6-8) -0.07 3.01 -145.1 3 5 2 68 305.469 6 ↓

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Rings

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

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