UCSF

ZINC03164285

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 14 Yes

Popular Name: 2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 2-methyl-2,3,4,5-tetrahydro-1H-p…

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CAS Numbers: 02/12/94 , 5094-12-2 , N/A , [5094-12-2]

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) 2.17 0.14 -38.35 2 2 1 20 187.266 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 169-170° Matrix Scientific
melting_point 171-173 KeyOrganics
Warnings IRRITANT Matrix Scientific

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