UCSF

ZINC69739485

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 No

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(trifluoromethyl)pyrimidin-2-yl]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) 1.05 2.76 -68.13 3 6 1 89 325.336 6 ↓
Mid Mid (pH 6-8) 1.05 1.61 -16.65 2 6 0 84 324.328 6 ↓

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

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