UCSF

ZINC52482857

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 No

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

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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) -1.17 -0.33 -122.75 4 7 2 97 275.378 5 ↓
Hi High (pH 8-9.5) -1.17 -3.21 -16.91 2 7 0 94 273.362 5 ↓
Mid Mid (pH 6-8) -1.17 -2.8 -58.55 3 7 1 96 274.37 5 ↓

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

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