UCSF

ZINC13013696

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 17 Yes

Popular Name: Methyl 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylate Methyl 2,3,4,5-tetrahydro-1H-pyr…

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CAS Numbers: 1015082-04-8 , 1803588-69-3

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) 2.07 3.74 -10.38 2 4 0 54 230.267 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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