UCSF

ZINC39947717

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 19 Yes

Popular Name: 1-benzyl-2-ethyl-4,5,6,7-tetrahydro-1H-indol-4-amine 1-benzyl-2-ethyl-4,5,6,7-tetrahy…

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CAS Number: 1221723-40-5

Other Names:

MFCD14705918

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) 1.55 8.36 -39.52 3 2 1 33 255.385 3 ↓
Hi High (pH 8-9.5) 1.55 8.05 -5.19 2 2 0 31 254.377 3 ↓

Vendor Notes

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

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