UCSF

ZINC00151266

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 23 Yes

Popular Name: [2-(phenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid [2-(phenylsulfonyl)-1,2,3,4-tetr…

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CAS Number: 329905-83-1

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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) 2.34 8.47 -67.85 0 5 -1 78 330.385 4 ↓
Lo Low (pH 4.5-6) 2.34 6.44 -13.6 1 5 0 75 331.393 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 67 - 68 Enamine Building Blocks
MP 67...68 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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