UCSF

ZINC20244842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 Yes

Popular Name: 4-(4-pyridylsulfamoyl)butanoic 4-(4-pyridylsulfamoyl)butanoic

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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) -0.15 1.4 -87.64 1 6 -1 102 243.264 5 ↓
Mid Mid (pH 6-8) -0.33 0.96 -95.91 0 6 -2 101 242.256 6 ↓
Lo Low (pH 4.5-6) -0.33 2.2 -74.6 2 6 0 100 244.272 6 ↓
Lo Low (pH 4.5-6) -0.16 0.45 -28.67 2 6 0 100 244.272 5 ↓

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Rings

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

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