UCSF

ZINC67740509

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: 2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-ca 2-[[(1S)-1-(2-ethyl-1,2,4-triazo…

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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 4.47 -90.01 3 9 0 134 385.471 6 ↓
Hi High (pH 8-9.5) 0.18 2.91 -131.6 1 9 -2 131 383.455 6 ↓
Hi High (pH 8-9.5) 0.18 3.12 -63.92 2 9 -1 129 384.463 6 ↓
Lo Low (pH 4.5-6) 0.18 4.93 -119.53 4 9 1 135 386.479 6 ↓

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Rings

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

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