UCSF

ZINC67739385

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 24 Yes

Popular Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[4-(2-hydroxyethyl)piperazin-1…

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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) -0.28 -0.28 -92.44 3 8 0 118 375.472 5 ↓
Hi High (pH 8-9.5) -0.28 -1.67 -64.66 2 8 -1 113 374.464 5 ↓
Lo Low (pH 4.5-6) -0.28 2.02 -130.24 4 8 1 119 376.48 5 ↓

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Rings

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

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