UCSF

ZINC20282822

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 10 Yes

Popular Name: 5,6,7,8-Tetrahydro-1,6-naphthyridine 5,6,7,8-Tetrahydro-1,6-naphthyri…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1187830-51-8 , 1193388-00-9 , 1305712-00-8 , 348623-30-3 , 80957-68-2 , [1187830-51-8] , [80957-68-2]

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) 0.71 1.31 -4.52 1 2 0 25 134.182 0 ↓
Mid Mid (pH 6-8) 0.71 2.74 -46.42 2 2 1 29 135.19 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 194 - 196 Enamine Building Blocks
MP 194...196 Enamine Building Blocks
purity 8.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1996035678A1 IBM Patent Data

Activity (Go SEA)

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

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