UCSF

ZINC52482841

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 No

Popular Name: (3S)-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-methyl-N-[2-[4-(methylami…

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Vendors

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) -0.80 1.54 -118.2 3 7 2 86 289.405 6 ↓
Hi High (pH 8-9.5) -0.80 -2.38 -16.6 1 7 0 80 287.389 6 ↓
Mid Mid (pH 6-8) -0.80 -0.93 -53.45 2 7 1 85 288.397 6 ↓

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

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