UCSF

ZINC31890255

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 No

Popular Name: [2-(4-methyl-1-piperidyl)thiazol-4-yl]methanethiol [2-(4-methyl-1-piperidyl)thiazol…

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Annotations

Vendors

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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) 2.77 5.48 -4.87 0 2 0 16 228.386 2 ↓
Hi High (pH 8-9.5) 2.77 5.89 -28.12 1 2 1 17 229.394 2 ↓
Hi High (pH 8-9.5) 2.77 5.96 -47.62 0 2 -1 16 227.378 2 ↓

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