UCSF

ZINC67458665

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: 2-[(4-dimethylaminophenyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[(4-dimethylaminophenyl)sulfam…

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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) 2.02 5.2 -151.68 2 7 -1 108 380.471 5 ↓
Hi High (pH 8-9.5) 2.02 3.84 -141.57 1 7 -2 104 379.463 5 ↓
Lo Low (pH 4.5-6) 2.02 5.03 -93.84 3 7 0 106 381.479 5 ↓
Lo Low (pH 4.5-6) 2.02 5.93 -146.22 3 7 0 109 381.479 5 ↓

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Rings

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

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