UCSF

ZINC24190176

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 10 Yes

Popular Name: 1,2,3,4-Tetrahydro-1,6-naphthyridine 1,2,3,4-Tetrahydro-1,6-naphthyri…

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CAS Numbers: 13623-84-2 , 13623-87-5 , 253-72-5 , [13623-84-2]

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) 1.05 3.11 -29.79 2 2 1 26 135.19 0 ↓
Hi High (pH 8-9.5) 3.42 9.57 -47.09 2 5 1 55 370.517 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0690847A1; US5563141; US5750754; US5753659; WO1994022835A2 IBM Patent Data

Activity (Go SEA)

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