UCSF

ZINC09237955

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 17 Yes

Popular Name: 4-[3,4-dihydro-2(1h)-isoquinolinyl]aniline 4-[3,4-dihydro-2(1h)-isoquinolin…

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CAS Numbers: 911105-85-6 , N/A

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) 2.51 6.9 -4.45 2 2 0 29 224.307 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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