UCSF

ZINC14984380

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 13 Yes

Popular Name: Decanhydroisoquinoline-3-carboxylic acid Decanhydroisoquinoline-3-carboxy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 115238-58-9 , 82717-30-4

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) 0.16 4.5 -38.66 2 3 0 57 183.251 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5380849; US5430150 IBM Patent Data

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