UCSF

ZINC67447080

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

Popular Name: 2-[[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine- 2-[[(1R)-1-(5-methyl-1H-1,2,4-tr…

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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) -0.18 2.42 -89.5 4 9 0 144 371.444 5 ↓
Hi High (pH 8-9.5) -0.18 0.92 -67.64 3 9 -1 140 370.436 5 ↓
Lo Low (pH 4.5-6) -0.18 2.8 -130.99 5 9 1 146 372.452 5 ↓

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

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