UCSF

ZINC52482842

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 No

Popular Name: (3R)-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[4-(ethylaminomethyl)t…

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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) -0.42 2.38 -119.5 3 7 2 86 303.432 7 ↓
Hi High (pH 8-9.5) -0.42 -1.24 -17 1 7 0 80 301.416 7 ↓
Mid Mid (pH 6-8) -0.42 0.14 -53.69 2 7 1 85 302.424 7 ↓

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

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