UCSF

ZINC00890161

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 28 Yes

Popular Name: N-(tert-butyl)-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide N-(tert-butyl)-2-[(4-methoxyphen…

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CAS Number: 318517-28-1

Other Names:

MFCD01316086

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) 2.98 -3.69 -10.88 1 6 0 75 402.516 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 100 - 102 KeyOrganics

Activity (Go SEA)

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