UCSF

ZINC67946409

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 24 Yes

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

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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) 1.08 3.31 -88.91 3 7 0 116 387.508 6 ↓
Hi High (pH 8-9.5) 1.08 3.07 -146.03 2 7 -1 118 386.5 6 ↓
Hi High (pH 8-9.5) 1.08 1.95 -64.22 2 7 -1 111 386.5 6 ↓
Hi High (pH 8-9.5) 1.08 1.71 -136.69 1 7 -2 113 385.492 6 ↓

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Rings

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

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