UCSF

ZINC67741308

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: 2-[[(2S)-tetrahydropyran-2-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(2S)-tetrahydropyran-2-yl]me…

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Download: MOL2 SDF SMILES Flexibase

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) 1.10 2.84 -89.85 3 7 0 112 360.457 5 ↓
Hi High (pH 8-9.5) 1.10 1.49 -64.67 2 7 -1 108 359.449 5 ↓

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

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